8-[(1S,2S)-2-oct-1-enylcyclopentyl]-2-prop-2-enoxyoctanal

C24H42O2 — CID 88769464

IUPAC8-[(1S,2S)-2-oct-1-enylcyclopentyl]-2-prop-2-enoxyoctanal
SMILESC=CCOC(C=O)CCCCCC[C@H]1CCC[C@@H]1C=CCCCCCC
InChIInChI=1S/C24H42O2/c1-3-5-6-7-8-11-15-22-17-14-18-23(22)16-12-9-10-13-19-24(21-25)26-20-4-2/h4,11,15,21-24H,2-3,5-10,12-14,16-20H2,1H3/t22-,23-,24?/m0/s1
InChIKeyGFZJQGFTXDNCGX-NTZARQNWSA-N
MW362.60 g/mol
LogP7.04
Rot. Bonds17

About 8-[(1S,2S)-2-oct-1-enylcyclopentyl]-2-prop-2-enoxyoctanal

8-[(1S,2S)-2-oct-1-enylcyclopentyl]-2-prop-2-enoxyoctanal (PubChem CID 88769464) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is 8-[(1S,2S)-2-oct-1-enylcyclopentyl]-2-prop-2-enoxyoctanal.

Molecular Properties

Compound Name8-[(1S,2S)-2-oct-1-enylcyclopentyl]-2-prop-2-enoxyoctanal
PubChem CID88769464
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name8-[(1S,2S)-2-oct-1-enylcyclopentyl]-2-prop-2-enoxyoctanal
SMILESC=CCOC(C=O)CCCCCC[C@H]1CCC[C@@H]1C=CCCCCCC
InChIInChI=1S/C24H42O2/c1-3-5-6-7-8-11-15-22-17-14-18-23(22)16-12-9-10-13-19-24(21-25)26-20-4-2/h4,11,15,21-24H,2-3,5-10,12-14,16-20H2,1H3/t22-,23-,24?/m0/s1
InChIKeyGFZJQGFTXDNCGX-NTZARQNWSA-N
XLogP7.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-1-hept-1-enyl-2-hexylcyclopentane
CID 57208153
trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
CID 54258252
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
CID 54565443
methyl 2-iodo-7-[(1S,2S)-2-oct-1-enylcyclopentyl]heptanoate
CID 154143928
7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
CID 21403181
7-(2-oct-1-enylcyclopentyl)heptanoic acid
CID 54234183
7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 70513342
7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol
CID 22806593
trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
CID 54243743
2-[4-[(1R,2S)-2-non-1-enylcyclopentyl]butylsulfanyl]acetic acid
CID 57306372
2-[4-[(1R,2S)-2-dec-1-enylcyclopentyl]butylsulfanyl]acetic acid
CID 57231144
5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 154418264

Frequently Asked Questions

What is the IUPAC name of 8-[(1S,2S)-2-oct-1-enylcyclopentyl]-2-prop-2-enoxyoctanal?
The IUPAC name of 8-[(1S,2S)-2-oct-1-enylcyclopentyl]-2-prop-2-enoxyoctanal (CID 88769464) is 8-[(1S,2S)-2-oct-1-enylcyclopentyl]-2-prop-2-enoxyoctanal.
What is the SMILES notation for 8-[(1S,2S)-2-oct-1-enylcyclopentyl]-2-prop-2-enoxyoctanal?
The canonical SMILES for 8-[(1S,2S)-2-oct-1-enylcyclopentyl]-2-prop-2-enoxyoctanal is C=CCOC(C=O)CCCCCC[C@H]1CCC[C@@H]1C=CCCCCCC.
What is the InChIKey of 8-[(1S,2S)-2-oct-1-enylcyclopentyl]-2-prop-2-enoxyoctanal?
The InChIKey is GFZJQGFTXDNCGX-NTZARQNWSA-N. The full InChI is InChI=1S/C24H42O2/c1-3-5-6-7-8-11-15-22-17-14-18-23(22)16-12-9-10-13-19-24(21-25)26-20-4-2/h4,11,15,21-24H,2-3,5-10,12-14,16-20H2,1H3/t22-,23-,24?/m0/s1.
What are the key properties of 8-[(1S,2S)-2-oct-1-enylcyclopentyl]-2-prop-2-enoxyoctanal?
8-[(1S,2S)-2-oct-1-enylcyclopentyl]-2-prop-2-enoxyoctanal has a molecular weight of 362.60 g/mol, XLogP of 7.04, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S,2S)-2-oct-1-enylcyclopentyl]-2-prop-2-enoxyoctanal is sourced from PubChem (CID 88769464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).