trans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane

C23H42 — CID 56619365

IUPACtrans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane
SMILESCC=C[C@H]1CCC[C@@H]1CCC(CCCC)[C@@H]1CC[C@@H](CCC)C1
InChIInChI=1S/C23H42/c1-4-7-11-22(23-15-14-19(18-23)9-5-2)17-16-21-13-8-12-20(21)10-6-3/h6,10,19-23H,4-5,7-9,11-18H2,1-3H3/t19-,20+,21-,22?,23-/m1/s1
InChIKeySXKXLYJOJMDMEW-OOIRRICCSA-N
MW318.59 g/mol
LogP7.78
Rot. Bonds10

About trans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane

trans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane (PubChem CID 56619365) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is trans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane.

Molecular Properties

Compound Nametrans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane
PubChem CID56619365
Molecular FormulaC23H42
Molecular Weight318.59 g/mol
Exact Mass318.33
IUPAC Nametrans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane
SMILESCC=C[C@H]1CCC[C@@H]1CCC(CCCC)[C@@H]1CC[C@@H](CCC)C1
InChIInChI=1S/C23H42/c1-4-7-11-22(23-15-14-19(18-23)9-5-2)17-16-21-13-8-12-20(21)10-6-3/h6,10,19-23H,4-5,7-9,11-18H2,1-3H3/t19-,20+,21-,22?,23-/m1/s1
InChIKeySXKXLYJOJMDMEW-OOIRRICCSA-N
XLogP7.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.59
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane with MolForge

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Related Compounds

1-ethyl-2-[(Z)-prop-1-enyl]cyclohexane
CID 59840791
1-cyclobutylnonan-5-ylcyclobutane
CID 173183497
1-(1-chloroethyl)-3-propylcyclopentane
CID 130233660
1-butan-2-yl-3-propylcyclopentane
CID 123336585
2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine
CID 55187488
trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde
CID 131854449
1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane
CID 144577798
2-(2-butylheptyl)-5-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 163686361
1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane
CID 173282079
2-cyclopropylheptylcyclohexane
CID 57268487
trans-(1S,2S)-1-hept-1-enyl-2-hexylcyclopentane
CID 57208153
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
CID 54565443

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane?
The IUPAC name of trans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane (CID 56619365) is trans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane.
What is the SMILES notation for trans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane?
The canonical SMILES for trans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane is CC=C[C@H]1CCC[C@@H]1CCC(CCCC)[C@@H]1CC[C@@H](CCC)C1.
What is the InChIKey of trans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane?
The InChIKey is SXKXLYJOJMDMEW-OOIRRICCSA-N. The full InChI is InChI=1S/C23H42/c1-4-7-11-22(23-15-14-19(18-23)9-5-2)17-16-21-13-8-12-20(21)10-6-3/h6,10,19-23H,4-5,7-9,11-18H2,1-3H3/t19-,20+,21-,22?,23-/m1/s1.
What are the key properties of trans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane?
trans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane has a molecular weight of 318.59 g/mol, XLogP of 7.78, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-prop-1-enyl-2-[3-[(1R,3R)-3-propylcyclopentyl]heptyl]cyclopentane is sourced from PubChem (CID 56619365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).