(3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde

C17H32O — CID 143211180

IUPAC(3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde
SMILESCC(C)CCCC(C)[C@@]1(C)CCC(C=O)C1(C)C
InChIInChI=1S/C17H32O/c1-13(2)8-7-9-14(3)17(6)11-10-15(12-18)16(17,4)5/h12-15H,7-11H2,1-6H3/t14?,15?,17-/m1/s1
InChIKeyAOBAZSWIANCCQA-VMBOVVBDSA-N
MW252.44 g/mol
LogP5.09
Rot. Bonds6

About (3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde

(3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde (PubChem CID 143211180) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is (3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name(3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde
PubChem CID143211180
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name(3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde
SMILESCC(C)CCCC(C)[C@@]1(C)CCC(C=O)C1(C)C
InChIInChI=1S/C17H32O/c1-13(2)8-7-9-14(3)17(6)11-10-15(12-18)16(17,4)5/h12-15H,7-11H2,1-6H3/t14?,15?,17-/m1/s1
InChIKeyAOBAZSWIANCCQA-VMBOVVBDSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3-tetramethylcyclopentane-1-carbaldehyde
CID 89229755
1,2,2,3-tetramethyl-1-pentan-2-ylcyclopentane
CID 123500106
7a-methyl-1-(6-methylheptan-2-yl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carbaldehyde
CID 174274223
(1R,3aS,4S,5S,7aR)-5-[(1R,2S,4S)-2-formyl-1,4-dimethylcyclohexyl]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,4,5,6,7-octahydroindene-4-carbaldehyde
CID 158187295
5-butan-2-yl-5-methyloxolane-2-carbaldehyde
CID 130584458
2-methyl-2-(7-methylocta-1,2-dien-3-yl)cyclopropane-1-carbaldehyde
CID 174584463
(5S,10S,13R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthrene-3-carbaldehyde
CID 174438954
trans-(1R,3R)-5-[(E)-3-[(1S)-3-[(2S,5R)-5-hydroxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]prop-2-enylidene]cyclohexane-1,3-diol
CID 87505239
(1S,3R)-6-methylidene-7-[(E)-2-[(1S,3R)-2,2,3-trimethyl-3-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]cyclopentyl]ethenyl]bicyclo[3.1.1]heptane-1,3-diol
CID 87794263
(2S)-1-(10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-2,6-dimethylheptan-1-one
CID 135055244
CID 174075353
CID 174075353
(4R,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carbaldehyde
CID 102381504

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde?
The IUPAC name of (3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde (CID 143211180) is (3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for (3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde?
The canonical SMILES for (3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde is CC(C)CCCC(C)[C@@]1(C)CCC(C=O)C1(C)C.
What is the InChIKey of (3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde?
The InChIKey is AOBAZSWIANCCQA-VMBOVVBDSA-N. The full InChI is InChI=1S/C17H32O/c1-13(2)8-7-9-14(3)17(6)11-10-15(12-18)16(17,4)5/h12-15H,7-11H2,1-6H3/t14?,15?,17-/m1/s1.
What are the key properties of (3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde?
(3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde has a molecular weight of 252.44 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,3-trimethyl-3-(6-methylheptan-2-yl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 143211180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).