trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane

C19H36 — CID 54258252

IUPACtrans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
SMILESCCCCCCC=C[C@H]1CCC[C@@H]1CCCCCC
InChIInChI=1S/C19H36/c1-3-5-7-9-10-12-15-19-17-13-16-18(19)14-11-8-6-4-2/h12,15,18-19H,3-11,13-14,16-17H2,1-2H3/t18-,19-/m0/s1
InChIKeyRBPBLOLSSRZYCK-OALUTQOASA-N
MW264.50 g/mol
LogP6.90
Rot. Bonds11

About trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane

trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane (PubChem CID 54258252) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
PubChem CID54258252
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Nametrans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
SMILESCCCCCCC=C[C@H]1CCC[C@@H]1CCCCCC
InChIInChI=1S/C19H36/c1-3-5-7-9-10-12-15-19-17-13-16-18(19)14-11-8-6-4-2/h12,15,18-19H,3-11,13-14,16-17H2,1-2H3/t18-,19-/m0/s1
InChIKeyRBPBLOLSSRZYCK-OALUTQOASA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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-dec-1-enyl-2-hexylcyclopentane
CID 54565443
7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol
CID 22806593
7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
CID 21403181
7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 70513342
7-(2-oct-1-enylcyclopentyl)heptanoic acid
CID 54234183
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
1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane
CID 173282079
8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol
CID 54134891
methyl 2-iodo-7-[(1S,2S)-2-oct-1-enylcyclopentyl]heptanoate
CID 154143928

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane?
The IUPAC name of trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane (CID 54258252) is trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane.
What is the SMILES notation for trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane?
The canonical SMILES for trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane is CCCCCCC=C[C@H]1CCC[C@@H]1CCCCCC.
What is the InChIKey of trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane?
The InChIKey is RBPBLOLSSRZYCK-OALUTQOASA-N. The full InChI is InChI=1S/C19H36/c1-3-5-7-9-10-12-15-19-17-13-16-18(19)14-11-8-6-4-2/h12,15,18-19H,3-11,13-14,16-17H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane?
trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane has a molecular weight of 264.50 g/mol, XLogP of 6.90, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane is sourced from PubChem (CID 54258252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).