(2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane

C23H40 — CID 142894484

IUPAC(2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane
SMILESC=C1CCC(/C=C/CC(C)(C)CCCC)[C@H]1C/C=C\CCCC
InChIInChI=1S/C23H40/c1-6-8-10-11-12-15-22-20(3)16-17-21(22)14-13-19-23(4,5)18-9-7-2/h11-14,21-22H,3,6-10,15-19H2,1-2,4-5H3/b12-11-,14-13+/t21?,22-/m0/s1
InChIKeyQXOISDDDZAMCAO-MMZSLJGRSA-N
MW316.57 g/mol
LogP7.87
Rot. Bonds11

About (2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane

(2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane (PubChem CID 142894484) has the molecular formula C23H40 and a molecular weight of 316.57 g/mol. Its IUPAC name is (2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane.

Molecular Properties

Compound Name(2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane
PubChem CID142894484
Molecular FormulaC23H40
Molecular Weight316.57 g/mol
Exact Mass316.31
IUPAC Name(2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane
SMILESC=C1CCC(/C=C/CC(C)(C)CCCC)[C@H]1C/C=C\CCCC
InChIInChI=1S/C23H40/c1-6-8-10-11-12-15-22-20(3)16-17-21(22)14-13-19-23(4,5)18-9-7-2/h11-14,21-22H,3,6-10,15-19H2,1-2,4-5H3/b12-11-,14-13+/t21?,22-/m0/s1
InChIKeyQXOISDDDZAMCAO-MMZSLJGRSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.57
LogP ≤ 57.87
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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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane?
The IUPAC name of (2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane (CID 142894484) is (2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane.
What is the SMILES notation for (2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane?
The canonical SMILES for (2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane is C=C1CCC(/C=C/CC(C)(C)CCCC)[C@H]1C/C=C\CCCC.
What is the InChIKey of (2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane?
The InChIKey is QXOISDDDZAMCAO-MMZSLJGRSA-N. The full InChI is InChI=1S/C23H40/c1-6-8-10-11-12-15-22-20(3)16-17-21(22)14-13-19-23(4,5)18-9-7-2/h11-14,21-22H,3,6-10,15-19H2,1-2,4-5H3/b12-11-,14-13+/t21?,22-/m0/s1.
What are the key properties of (2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane?
(2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane has a molecular weight of 316.57 g/mol, XLogP of 7.87, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(E)-4,4-dimethyloct-1-enyl]-2-[(Z)-hept-2-enyl]-3-methylidenecyclopentane is sourced from PubChem (CID 142894484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).