(7S)-1-cyclohexyl-4-ethyl-7-(1-ethylcyclopentyl)octan-3-one

C23H42O — CID 155282846

IUPAC(7S)-1-cyclohexyl-4-ethyl-7-(1-ethylcyclopentyl)octan-3-one
SMILESCCC(CC[C@H](C)C1(CC)CCCC1)C(=O)CCC1CCCCC1
InChIInChI=1S/C23H42O/c1-4-21(22(24)16-14-20-11-7-6-8-12-20)15-13-19(3)23(5-2)17-9-10-18-23/h19-21H,4-18H2,1-3H3/t19-,21?/m0/s1
InChIKeyBKCYVOBRUUDFAZ-ZQRQZVKFSA-N
MW334.59 g/mol
LogP7.33
Rot. Bonds10

About (7S)-1-cyclohexyl-4-ethyl-7-(1-ethylcyclopentyl)octan-3-one

(7S)-1-cyclohexyl-4-ethyl-7-(1-ethylcyclopentyl)octan-3-one (PubChem CID 155282846) has the molecular formula C23H42O and a molecular weight of 334.59 g/mol. Its IUPAC name is (7S)-1-cyclohexyl-4-ethyl-7-(1-ethylcyclopentyl)octan-3-one.

Molecular Properties

Compound Name(7S)-1-cyclohexyl-4-ethyl-7-(1-ethylcyclopentyl)octan-3-one
PubChem CID155282846
Molecular FormulaC23H42O
Molecular Weight334.59 g/mol
Exact Mass334.32
IUPAC Name(7S)-1-cyclohexyl-4-ethyl-7-(1-ethylcyclopentyl)octan-3-one
SMILESCCC(CC[C@H](C)C1(CC)CCCC1)C(=O)CCC1CCCCC1
InChIInChI=1S/C23H42O/c1-4-21(22(24)16-14-20-11-7-6-8-12-20)15-13-19(3)23(5-2)17-9-10-18-23/h19-21H,4-18H2,1-3H3/t19-,21?/m0/s1
InChIKeyBKCYVOBRUUDFAZ-ZQRQZVKFSA-N
XLogP7.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-4-methylhexan-3-one
CID 115787943
1-cyclopropyl-4-propylheptan-3-one
CID 114978233
1-cyclohexyl-3-ethylpentan-2-one
CID 114967631
methyl 5-cyclohexyl-2-methyl-3-oxopentanoate
CID 139977687
1,4-dicyclohexyl-1-hydroxybutan-2-one
CID 114191974
3-cyclohexyl-N,N-di(propan-2-yl)propanamide
CID 4560477
[3-cyclopropyl-1-(1-ethylcyclopentyl)propyl]hydrazine
CID 105315139
1-cycloheptyloxy-3-ethylheptan-2-one
CID 134575358
3-cyclohexylpropanoic acid;ethane;propane
CID 169257090
1-cyclohexylhexan-3-one
CID 10856142
3-cyclohexyl-1-(4,4-dimethylcyclohexyl)propan-1-one
CID 114191901
3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one
CID 114193556

Frequently Asked Questions

What is the IUPAC name of (7S)-1-cyclohexyl-4-ethyl-7-(1-ethylcyclopentyl)octan-3-one?
The IUPAC name of (7S)-1-cyclohexyl-4-ethyl-7-(1-ethylcyclopentyl)octan-3-one (CID 155282846) is (7S)-1-cyclohexyl-4-ethyl-7-(1-ethylcyclopentyl)octan-3-one.
What is the SMILES notation for (7S)-1-cyclohexyl-4-ethyl-7-(1-ethylcyclopentyl)octan-3-one?
The canonical SMILES for (7S)-1-cyclohexyl-4-ethyl-7-(1-ethylcyclopentyl)octan-3-one is CCC(CC[C@H](C)C1(CC)CCCC1)C(=O)CCC1CCCCC1.
What is the InChIKey of (7S)-1-cyclohexyl-4-ethyl-7-(1-ethylcyclopentyl)octan-3-one?
The InChIKey is BKCYVOBRUUDFAZ-ZQRQZVKFSA-N. The full InChI is InChI=1S/C23H42O/c1-4-21(22(24)16-14-20-11-7-6-8-12-20)15-13-19(3)23(5-2)17-9-10-18-23/h19-21H,4-18H2,1-3H3/t19-,21?/m0/s1.
What are the key properties of (7S)-1-cyclohexyl-4-ethyl-7-(1-ethylcyclopentyl)octan-3-one?
(7S)-1-cyclohexyl-4-ethyl-7-(1-ethylcyclopentyl)octan-3-one has a molecular weight of 334.59 g/mol, XLogP of 7.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1-cyclohexyl-4-ethyl-7-(1-ethylcyclopentyl)octan-3-one is sourced from PubChem (CID 155282846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).