bis(5-methyl-2-propylcyclohexyl)methanone

C21H38O — CID 150034855

IUPACbis(5-methyl-2-propylcyclohexyl)methanone
SMILESCCCC1CCC(C)CC1C(=O)C1CC(C)CCC1CCC
InChIInChI=1S/C21H38O/c1-5-7-17-11-9-15(3)13-19(17)21(22)20-14-16(4)10-12-18(20)8-6-2/h15-20H,5-14H2,1-4H3
InChIKeyDIAPRUVQEOWSAJ-UHFFFAOYSA-N
MW306.53 g/mol
LogP6.26
Rot. Bonds6

About bis(5-methyl-2-propylcyclohexyl)methanone

bis(5-methyl-2-propylcyclohexyl)methanone (PubChem CID 150034855) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is bis(5-methyl-2-propylcyclohexyl)methanone.

Molecular Properties

Compound Namebis(5-methyl-2-propylcyclohexyl)methanone
PubChem CID150034855
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Namebis(5-methyl-2-propylcyclohexyl)methanone
SMILESCCCC1CCC(C)CC1C(=O)C1CC(C)CCC1CCC
InChIInChI=1S/C21H38O/c1-5-7-17-11-9-15(3)13-19(17)21(22)20-14-16(4)10-12-18(20)8-6-2/h15-20H,5-14H2,1-4H3
InChIKeyDIAPRUVQEOWSAJ-UHFFFAOYSA-N
XLogP6.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,5S)-5-methyl-2-propylcyclohexan-1-ol
CID 11899231
4,5-dipropylcyclohexane-1,2-dicarboxylic acid
CID 58183345
2,3,5-trimethyl-1-propylcycloheptane
CID 123381227
(4-methyl-2-propylcyclohexyl)methanamine
CID 81009866
(1R,2S,4R)-4-methylcyclohexane-1,2-dicarboxylic acid
CID 92643804
2-methyl-1,3-dipropylcyclopentane
CID 90887551
[acetyloxy-methyl-(5-methyl-2-propylcyclohexyl)oxysilyl] acetate
CID 70183931
(1R,2R,5R)-2-ethyl-5-methyl-N-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 143334985
2-chloro-1-[(1R,2R)-2-propylcyclopropyl]ethanone
CID 154814213
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
3,6-dimethylcycloheptane-1-carboxylic acid
CID 59898167
2-(2,4-dimethylcyclohexyl)acetic acid
CID 64774330

Frequently Asked Questions

What is the IUPAC name of bis(5-methyl-2-propylcyclohexyl)methanone?
The IUPAC name of bis(5-methyl-2-propylcyclohexyl)methanone (CID 150034855) is bis(5-methyl-2-propylcyclohexyl)methanone.
What is the SMILES notation for bis(5-methyl-2-propylcyclohexyl)methanone?
The canonical SMILES for bis(5-methyl-2-propylcyclohexyl)methanone is CCCC1CCC(C)CC1C(=O)C1CC(C)CCC1CCC.
What is the InChIKey of bis(5-methyl-2-propylcyclohexyl)methanone?
The InChIKey is DIAPRUVQEOWSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O/c1-5-7-17-11-9-15(3)13-19(17)21(22)20-14-16(4)10-12-18(20)8-6-2/h15-20H,5-14H2,1-4H3.
What are the key properties of bis(5-methyl-2-propylcyclohexyl)methanone?
bis(5-methyl-2-propylcyclohexyl)methanone has a molecular weight of 306.53 g/mol, XLogP of 6.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-methyl-2-propylcyclohexyl)methanone is sourced from PubChem (CID 150034855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).