14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one

C22H34O — CID 142981632

IUPAC14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one
SMILESCC12CCCCC1CCC1C2CCC23CCCC(=O)C2CCC13
InChIInChI=1S/C22H34O/c1-21-12-3-2-5-15(21)7-8-16-17(21)11-14-22-13-4-6-20(23)19(22)10-9-18(16)22/h15-19H,2-14H2,1H3
InChIKeyMHWNXXBPPQQZAW-UHFFFAOYSA-N
MW314.51 g/mol
LogP5.77
Rot. Bonds

About 14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one

14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one (PubChem CID 142981632) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is 14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one.

Molecular Properties

Compound Name14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one
PubChem CID142981632
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one
SMILESCC12CCCCC1CCC1C2CCC23CCCC(=O)C2CCC13
InChIInChI=1S/C22H34O/c1-21-12-3-2-5-15(21)7-8-16-17(21)11-14-22-13-4-6-20(23)19(22)10-9-18(16)22/h15-19H,2-14H2,1H3
InChIKeyMHWNXXBPPQQZAW-UHFFFAOYSA-N
XLogP5.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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
11-methylpentacyclo[8.8.0.02,7.05,7.011,16]octadecane
CID 172568187
(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 7060918
(8R,9S,10S,13S,14S,17R)-17-[[(8R,9S,10S,13S,14S,17R)-10,13-dimethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one
CID 10626746
(10S,13R)-13-chloro-10-methyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 134354077
(4aS,4bR,6aR,10aS,10bS,12aS)-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-2-one
CID 102116901
(5R,6R,13S,18R)-13-methyl-6-propylpentacyclo[10.8.0.02,9.05,9.013,18]icosane
CID 123728244
(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
(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-methylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
CID 173324612
(8R,9S,10S,13S,14R)-17-ethylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
CID 173292292
(8R,9S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene
CID 18607928

Frequently Asked Questions

What is the IUPAC name of 14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one?
The IUPAC name of 14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one (CID 142981632) is 14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one.
What is the SMILES notation for 14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one?
The canonical SMILES for 14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one is CC12CCCCC1CCC1C2CCC23CCCC(=O)C2CCC13.
What is the InChIKey of 14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one?
The InChIKey is MHWNXXBPPQQZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O/c1-21-12-3-2-5-15(21)7-8-16-17(21)11-14-22-13-4-6-20(23)19(22)10-9-18(16)22/h15-19H,2-14H2,1H3.
What are the key properties of 14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one?
14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one has a molecular weight of 314.51 g/mol, XLogP of 5.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methylpentacyclo[11.8.0.02,10.05,10.014,19]henicosan-6-one is sourced from PubChem (CID 142981632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).