4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol

C20H36O2 — CID 20612560

IUPAC4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol
SMILESCCCCC/C=C/CC1C(O)CC(O)C1/C=C/C(C)CCC
InChIInChI=1S/C20H36O2/c1-4-6-7-8-9-10-12-17-18(20(22)15-19(17)21)14-13-16(3)11-5-2/h9-10,13-14,16-22H,4-8,11-12,15H2,1-3H3/b10-9+,14-13+
InChIKeyOLZRWMSJYZKZNE-LBSPPQMYSA-N
MW308.51 g/mol
LogP4.86
Rot. Bonds10

About 4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol

4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol (PubChem CID 20612560) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol.

Molecular Properties

Compound Name4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol
PubChem CID20612560
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol
SMILESCCCCC/C=C/CC1C(O)CC(O)C1/C=C/C(C)CCC
InChIInChI=1S/C20H36O2/c1-4-6-7-8-9-10-12-17-18(20(22)15-19(17)21)14-13-16(3)11-5-2/h9-10,13-14,16-22H,4-8,11-12,15H2,1-3H3/b10-9+,14-13+
InChIKeyOLZRWMSJYZKZNE-LBSPPQMYSA-N
XLogP4.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

CID 89201023
CID 89201023
(E)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-oct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid
CID 42607309
(E,5S)-7-[(1R,2R,3S,5R)-3,5-dihydroxy-2-[(Z)-oct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid
CID 26250241
(Z)-9-[(1R,2R,3S,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]non-7-enoic acid
CID 35022708
(Z)-9-[(1S,2S,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]non-7-enoic acid
CID 134812236
(1S,3R,4R,5R)-4-[(E,3S)-3-hydroxyoct-1-enyl]-5-[(Z)-7-(2-methylpropoxy)hept-2-enyl]cyclopentane-1,3-diol
CID 70623818
(E)-7-[(1S,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 171042160
7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 134688226
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 67853576
(E)-7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 22795415
(E)-7-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 133126547
(Z)-7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 10522105

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol?
The IUPAC name of 4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol (CID 20612560) is 4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol.
What is the SMILES notation for 4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol?
The canonical SMILES for 4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol is CCCCC/C=C/CC1C(O)CC(O)C1/C=C/C(C)CCC.
What is the InChIKey of 4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol?
The InChIKey is OLZRWMSJYZKZNE-LBSPPQMYSA-N. The full InChI is InChI=1S/C20H36O2/c1-4-6-7-8-9-10-12-17-18(20(22)15-19(17)21)14-13-16(3)11-5-2/h9-10,13-14,16-22H,4-8,11-12,15H2,1-3H3/b10-9+,14-13+.
What are the key properties of 4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol?
4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol has a molecular weight of 308.51 g/mol, XLogP of 4.86, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-methylhex-1-enyl]-5-[(E)-oct-2-enyl]cyclopentane-1,3-diol is sourced from PubChem (CID 20612560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).