15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane]

C48H82 — CID 168816899

IUPAC15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane]
SMILESCCC(C)(CC)C1CC(C(C)(CC)CC)CC2(C1)C1CC3CCCCC3CC1C1C3C4CC5CCCCC5CC4C(C)(C)C3CC(C)C12
InChIInChI=1S/C48H82/c1-10-46(8,11-2)35-27-36(47(9,12-3)13-4)29-48(28-35)40-26-34-21-17-15-19-32(34)24-38(40)43-42-37-23-31-18-14-16-20-33(31)25-39(37)45(6,7)41(42)22-30(5)44(43)48/h30-44H,10-29H2,1-9H3
InChIKeyMDUCRIVYBAGBCG-UHFFFAOYSA-N
MW659.18 g/mol
LogP14.26
Rot. Bonds6

About 15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane]

15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane] (PubChem CID 168816899) has the molecular formula C48H82 and a molecular weight of 659.18 g/mol. Its IUPAC name is 15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane].

Molecular Properties

Compound Name15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane]
PubChem CID168816899
Molecular FormulaC48H82
Molecular Weight659.18 g/mol
Exact Mass658.64
IUPAC Name15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane]
SMILESCCC(C)(CC)C1CC(C(C)(CC)CC)CC2(C1)C1CC3CCCCC3CC1C1C3C4CC5CCCCC5CC4C(C)(C)C3CC(C)C12
InChIInChI=1S/C48H82/c1-10-46(8,11-2)35-27-36(47(9,12-3)13-4)29-48(28-35)40-26-34-21-17-15-19-32(34)24-38(40)43-42-37-23-31-18-14-16-20-33(31)25-39(37)45(6,7)41(42)22-30(5)44(43)48/h30-44H,10-29H2,1-9H3
InChIKeyMDUCRIVYBAGBCG-UHFFFAOYSA-N
XLogP14.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.18
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane] 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

13',13'-dimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,18'-heptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosane]
CID 168816965
22'-tert-butyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.020,25]octacosane]
CID 168817062
3,5-bis(3-methylpentan-3-yl)-20'-propan-2-ylspiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.018,27.021,26]octacosane]
CID 168816571
11'-(2,2-dimethylpropyl)-3,5-di(pentan-3-yl)spiro[cyclohexane-1,18'-heptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosane]
CID 168816850
3-methylpentan-3-ylcycloundecane
CID 123467319
3,5,5',7'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosane]
CID 168816168
2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene
CID 22894527
3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane
CID 123909687
1-methyl-2-(3-methylpentan-3-yl)cyclohexane
CID 123475804
2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane]
CID 123849579
3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane]
CID 168816364
1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 139994332

Frequently Asked Questions

What is the IUPAC name of 15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane]?
The IUPAC name of 15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane] (CID 168816899) is 15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane].
What is the SMILES notation for 15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane]?
The canonical SMILES for 15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane] is CCC(C)(CC)C1CC(C(C)(CC)CC)CC2(C1)C1CC3CCCCC3CC1C1C3C4CC5CCCCC5CC4C(C)(C)C3CC(C)C12.
What is the InChIKey of 15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane]?
The InChIKey is MDUCRIVYBAGBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H82/c1-10-46(8,11-2)35-27-36(47(9,12-3)13-4)29-48(28-35)40-26-34-21-17-15-19-32(34)24-38(40)43-42-37-23-31-18-14-16-20-33(31)25-39(37)45(6,7)41(42)22-30(5)44(43)48/h30-44H,10-29H2,1-9H3.
What are the key properties of 15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane]?
15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane] has a molecular weight of 659.18 g/mol, XLogP of 14.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane] is sourced from PubChem (CID 168816899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).