10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane

C20H28 — CID 163559824

IUPAC10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane
SMILESCC1(C)CC2C3C4C(C1)C2C1(C)C2CCC1C1C4C3C12
InChIInChI=1S/C20H28/c1-19(2)6-8-12-13-9(7-19)18(8)20(3)10-4-5-11(20)15-14(10)16(12)17(13)15/h8-18H,4-7H2,1-3H3
InChIKeyFQHBKINMXPZNAO-UHFFFAOYSA-N
MW268.44 g/mol
LogP4.45
Rot. Bonds

About 10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane

10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane (PubChem CID 163559824) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane.

Molecular Properties

Compound Name10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane
PubChem CID163559824
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane
SMILESCC1(C)CC2C3C4C(C1)C2C1(C)C2CCC1C1C4C3C12
InChIInChI=1S/C20H28/c1-19(2)6-8-12-13-9(7-19)18(8)20(3)10-4-5-11(20)15-14(10)16(12)17(13)15/h8-18H,4-7H2,1-3H3
InChIKeyFQHBKINMXPZNAO-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane with MolForge

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Related Compounds

2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane
CID 147978015
methyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene
CID 155105350
4,4,10-trimethyltricyclo[5.2.1.02,6]decane
CID 142502151
11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 123292612
5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane
CID 143329960
(3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene
CID 91731723
6,6-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
CID 123857656
(1S,2R,3R,4R,5S,7R,8R,9S,10R)-4-methoxy-2-methylpentacyclo[6.4.0.02,10.03,7.05,9]dodecan-6-one
CID 139054009
(2,2-dimethylcyclopropyl)cyclopentane
CID 90922823
(1R,2R,5S)-4,4-dimethylbicyclo[3.2.0]heptan-2-ol
CID 130927421
2,2-dimethyl-3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-tetradecahydro-1H-cyclopenta[b]fluorene
CID 123139653
1-methylcubane
CID 13245707

Frequently Asked Questions

What is the IUPAC name of 10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane?
The IUPAC name of 10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane (CID 163559824) is 10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane.
What is the SMILES notation for 10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane?
The canonical SMILES for 10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane is CC1(C)CC2C3C4C(C1)C2C1(C)C2CCC1C1C4C3C12.
What is the InChIKey of 10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane?
The InChIKey is FQHBKINMXPZNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28/c1-19(2)6-8-12-13-9(7-19)18(8)20(3)10-4-5-11(20)15-14(10)16(12)17(13)15/h8-18H,4-7H2,1-3H3.
What are the key properties of 10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane?
10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane has a molecular weight of 268.44 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14,14-trimethylheptacyclo[10.5.0.02,5.03,17.04,9.06,10.011,16]heptadecane is sourced from PubChem (CID 163559824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).