3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one

C23H38O — CID 18633720

IUPAC3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one
SMILESCCC1CCC2(CC1)CC1(CCC(C3CCC(C)CC3)CC1)C2=O
InChIInChI=1S/C23H38O/c1-3-18-8-12-22(13-9-18)16-23(21(22)24)14-10-20(11-15-23)19-6-4-17(2)5-7-19/h17-20H,3-16H2,1-2H3
InChIKeyHBWHSFCLKRZVBM-UHFFFAOYSA-N
MW330.56 g/mol
LogP6.55
Rot. Bonds2

About 3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one

3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one (PubChem CID 18633720) has the molecular formula C23H38O and a molecular weight of 330.56 g/mol. Its IUPAC name is 3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one.

Molecular Properties

Compound Name3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one
PubChem CID18633720
Molecular FormulaC23H38O
Molecular Weight330.56 g/mol
Exact Mass330.29
IUPAC Name3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one
SMILESCCC1CCC2(CC1)CC1(CCC(C3CCC(C)CC3)CC1)C2=O
InChIInChI=1S/C23H38O/c1-3-18-8-12-22(13-9-18)16-23(21(22)24)14-10-20(11-15-23)19-6-4-17(2)5-7-19/h17-20H,3-16H2,1-2H3
InChIKeyHBWHSFCLKRZVBM-UHFFFAOYSA-N
XLogP6.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one
CID 18633795
11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one
CID 18633703
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
CID 160789108
1-ethyl-4-methylcyclohexane;2-methylprop-1-ene
CID 154678997
trans-propyl (1S,4R)-4-[4-(4-ethylcyclohexyl)cyclohexyl]-1-methyl-2-oxocyclohexane-1-carboxylate
CID 70371472
(7R)-3-butyl-11-(4-butylcyclohexyl)-7-fluorodispiro[5.1.58.16]tetradecan-14-one
CID 18633669
1-ethyl-4-methylcyclohexane;pentane
CID 159787850
ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 145196204

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one?
The IUPAC name of 3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one (CID 18633720) is 3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one.
What is the SMILES notation for 3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one?
The canonical SMILES for 3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one is CCC1CCC2(CC1)CC1(CCC(C3CCC(C)CC3)CC1)C2=O.
What is the InChIKey of 3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one?
The InChIKey is HBWHSFCLKRZVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O/c1-3-18-8-12-22(13-9-18)16-23(21(22)24)14-10-20(11-15-23)19-6-4-17(2)5-7-19/h17-20H,3-16H2,1-2H3.
What are the key properties of 3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one?
3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one has a molecular weight of 330.56 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-11-(4-methylcyclohexyl)dispiro[5.1.58.16]tetradecan-14-one is sourced from PubChem (CID 18633720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).