11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane

C19H30 — CID 172568187

IUPAC11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane
SMILESCC12CCCCC1CCC1C2CCC23CC2CCC13
InChIInChI=1S/C19H30/c1-18-10-3-2-4-13(18)5-7-15-16(18)9-11-19-12-14(19)6-8-17(15)19/h13-17H,2-12H2,1H3
InChIKeyJEKYJZSFDSKKKA-UHFFFAOYSA-N
MW258.45 g/mol
LogP5.42
Rot. Bonds

About 11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane

11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane (PubChem CID 172568187) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane.

Molecular Properties

Compound Name11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane
PubChem CID172568187
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane
SMILESCC12CCCCC1CCC1C2CCC23CC2CCC13
InChIInChI=1S/C19H30/c1-18-10-3-2-4-13(18)5-7-15-16(18)9-11-19-12-14(19)6-8-17(15)19/h13-17H,2-12H2,1H3
InChIKeyJEKYJZSFDSKKKA-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,2S,5S,13S,14S)-14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosane
CID 173088711
(5S,10R,14S)-14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosane
CID 142981610
(5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane
CID 123728244
14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one
CID 142981632
(5R,8R,9R,10S,13S,14R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 11868970
3-(12-methyl-6-pentacyclo[9.8.0.02,8.05,8.012,17]nonadecanyl)propanoic acid
CID 143867871
1-[(5R,8R,9S,10S,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol
CID 22213858
(8R,9S,10S,13S,14S)-13-ethyl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
CID 70066274
1-(13-ethyl-10-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanol
CID 171642602
(5R,8R,9R,10S,13R,14R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 638018
(10S,13R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 162452996
(5S,8R,9R,10S,13S,14R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 124896388

Frequently Asked Questions

What is the IUPAC name of 11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane?
The IUPAC name of 11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane (CID 172568187) is 11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane.
What is the SMILES notation for 11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane?
The canonical SMILES for 11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane is CC12CCCCC1CCC1C2CCC23CC2CCC13.
What is the InChIKey of 11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane?
The InChIKey is JEKYJZSFDSKKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-18-10-3-2-4-13(18)5-7-15-16(18)9-11-19-12-14(19)6-8-17(15)19/h13-17H,2-12H2,1H3.
What are the key properties of 11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane?
11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane has a molecular weight of 258.45 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane is sourced from PubChem (CID 172568187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).