17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane

C40H46 — CID 59256891

IUPAC17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane
SMILESCC1C(C)C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C3C4C5C6C7C8C9C%10CCC%10C9C8C7C6C5C4C3C12
InChIInChI=1S/C40H46/c1-5-6(2)10-9(5)13-14(10)18-17(13)21-22(18)26-25(21)29-30(26)34-33(29)37-38(34)40-36-32-28-24-20-16-12-8-4-3-7(8)11(12)15(16)19(20)23(24)27(28)31(32)35(36)39(37)40/h5-40H,3-4H2,1-2H3
InChIKeyFWOVMIDNIVDFMD-UHFFFAOYSA-N
MW526.81 g/mol
LogP6.23
Rot. Bonds

About 17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane

17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane (PubChem CID 59256891) has the molecular formula C40H46 and a molecular weight of 526.81 g/mol. Its IUPAC name is 17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane.

Molecular Properties

Compound Name17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane
PubChem CID59256891
Molecular FormulaC40H46
Molecular Weight526.81 g/mol
Exact Mass526.36
IUPAC Name17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane
SMILESCC1C(C)C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C3C4C5C6C7C8C9C%10CCC%10C9C8C7C6C5C4C3C12
InChIInChI=1S/C40H46/c1-5-6(2)10-9(5)13-14(10)18-17(13)21-22(18)26-25(21)29-30(26)34-33(29)37-38(34)40-36-32-28-24-20-16-12-8-4-3-7(8)11(12)15(16)19(20)23(24)27(28)31(32)35(36)39(37)40/h5-40H,3-4H2,1-2H3
InChIKeyFWOVMIDNIVDFMD-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.81
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze 17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

19,20-dimethylnonadecacyclo[36.2.0.02,37.03,36.04,35.05,34.06,33.07,32.08,31.09,30.010,29.011,28.012,27.013,26.014,25.015,24.016,23.017,22.018,21]tetracontane
CID 59256890
ethane;hexacyclo[6.6.0.02,7.03,6.09,14.010,13]tetradecane
CID 160503054
(12S)-octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadecane
CID 59762682
heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane
CID 20663352
(7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane
CID 58241652
pentacyclo[4.4.0.02,8.03,5.04,7]decane
CID 90487238
(3R,6R,7S,10S)-tetracyclo[5.3.0.02,6.03,10]decane
CID 124525163
tetracyclo[4.4.0.02,7.03,8]decane
CID 146782655
(6S)-6,7-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 91056108
azane;5-methylbicyclo[2.1.0]pentane
CID 68525999
octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane
CID 54326568
3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane
CID 123436578

Frequently Asked Questions

What is the IUPAC name of 17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane?
The IUPAC name of 17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane (CID 59256891) is 17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane.
What is the SMILES notation for 17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane?
The canonical SMILES for 17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane is CC1C(C)C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C3C4C5C6C7C8C9C%10CCC%10C9C8C7C6C5C4C3C12.
What is the InChIKey of 17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane?
The InChIKey is FWOVMIDNIVDFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46/c1-5-6(2)10-9(5)13-14(10)18-17(13)21-22(18)26-25(21)29-30(26)34-33(29)37-38(34)40-36-32-28-24-20-16-12-8-4-3-7(8)11(12)15(16)19(20)23(24)27(28)31(32)35(36)39(37)40/h5-40H,3-4H2,1-2H3.
What are the key properties of 17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane?
17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane has a molecular weight of 526.81 g/mol, XLogP of 6.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane is sourced from PubChem (CID 59256891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).