trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane

C21H40 — CID 54565443

IUPACtrans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
SMILESCCCCCCCCC=C[C@H]1CCC[C@@H]1CCCCCC
InChIInChI=1S/C21H40/c1-3-5-7-9-10-11-12-14-17-21-19-15-18-20(21)16-13-8-6-4-2/h14,17,20-21H,3-13,15-16,18-19H2,1-2H3/t20-,21-/m0/s1
InChIKeyZTMLMWGNPBQGRQ-SFTDATJTSA-N
MW292.55 g/mol
LogP7.68
Rot. Bonds13

About trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane

trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane (PubChem CID 54565443) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
PubChem CID54565443
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Nametrans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
SMILESCCCCCCCCC=C[C@H]1CCC[C@@H]1CCCCCC
InChIInChI=1S/C21H40/c1-3-5-7-9-10-11-12-14-17-21-19-15-18-20(21)16-13-8-6-4-2/h14,17,20-21H,3-13,15-16,18-19H2,1-2H3/t20-,21-/m0/s1
InChIKeyZTMLMWGNPBQGRQ-SFTDATJTSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.68
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-hexyl-2-oct-1-enylcyclopentane
CID 54258252
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-dec-1-enyl-2-hexylcyclopentane?
The IUPAC name of trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane (CID 54565443) is trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane.
What is the SMILES notation for trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane?
The canonical SMILES for trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane is CCCCCCCCC=C[C@H]1CCC[C@@H]1CCCCCC.
What is the InChIKey of trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane?
The InChIKey is ZTMLMWGNPBQGRQ-SFTDATJTSA-N. The full InChI is InChI=1S/C21H40/c1-3-5-7-9-10-11-12-14-17-21-19-15-18-20(21)16-13-8-6-4-2/h14,17,20-21H,3-13,15-16,18-19H2,1-2H3/t20-,21-/m0/s1.
What are the key properties of trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane?
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane has a molecular weight of 292.55 g/mol, XLogP of 7.68, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane is sourced from PubChem (CID 54565443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).