(5R)-3-[(E)-7-chloro-5-ethenyl-2-methylidenenon-7-enyl]-5-ethyl-1-(4-methylhexyl)cyclopentene

C26H43Cl — CID 89228149

IUPAC(5R)-3-[(E)-7-chloro-5-ethenyl-2-methylidenenon-7-enyl]-5-ethyl-1-(4-methylhexyl)cyclopentene
SMILESC=CC(CCC(=C)CC1C=C(CCCC(C)CC)[C@H](CC)C1)C/C(Cl)=C\C
InChIInChI=1S/C26H43Cl/c1-7-20(5)12-11-13-25-18-23(17-24(25)9-3)16-21(6)14-15-22(8-2)19-26(27)10-4/h8,10,18,20,22-24H,2,6-7,9,11-17,19H2,1,3-5H3/b26-10+/t20?,22?,23?,24-/m1/s1
InChIKeyVUVUGMWXEDDXII-ZVTXOAJVSA-N
MW391.08 g/mol
LogP9.24
Rot. Bonds14

About (5R)-3-[(E)-7-chloro-5-ethenyl-2-methylidenenon-7-enyl]-5-ethyl-1-(4-methylhexyl)cyclopentene

(5R)-3-[(E)-7-chloro-5-ethenyl-2-methylidenenon-7-enyl]-5-ethyl-1-(4-methylhexyl)cyclopentene (PubChem CID 89228149) has the molecular formula C26H43Cl and a molecular weight of 391.08 g/mol. Its IUPAC name is (5R)-3-[(E)-7-chloro-5-ethenyl-2-methylidenenon-7-enyl]-5-ethyl-1-(4-methylhexyl)cyclopentene.

Molecular Properties

Compound Name(5R)-3-[(E)-7-chloro-5-ethenyl-2-methylidenenon-7-enyl]-5-ethyl-1-(4-methylhexyl)cyclopentene
PubChem CID89228149
Molecular FormulaC26H43Cl
Molecular Weight391.08 g/mol
Exact Mass390.31
IUPAC Name(5R)-3-[(E)-7-chloro-5-ethenyl-2-methylidenenon-7-enyl]-5-ethyl-1-(4-methylhexyl)cyclopentene
SMILESC=CC(CCC(=C)CC1C=C(CCCC(C)CC)[C@H](CC)C1)C/C(Cl)=C\C
InChIInChI=1S/C26H43Cl/c1-7-20(5)12-11-13-25-18-23(17-24(25)9-3)16-21(6)14-15-22(8-2)19-26(27)10-4/h8,10,18,20,22-24H,2,6-7,9,11-17,19H2,1,3-5H3/b26-10+/t20?,22?,23?,24-/m1/s1
InChIKeyVUVUGMWXEDDXII-ZVTXOAJVSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.08
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(4-methylhexyl)benzene
CID 145016441
4,6,10-trimethyldodec-1-ene
CID 123808397
1,3,5-tris(4-methylhexyl)benzene
CID 101071559
3,8-dimethyl-4-methylidenedecane
CID 177054037
3,5-dimethyl-8-methylidenedodecane
CID 123462776
2,7-dimethylnon-1-ene
CID 123682074
2,18-dimethyl-3-methylideneicosane
CID 123398512
3,5-dimethyl-10-methylidenepentadecane
CID 123460821
3-methyl-4-[(4S)-4-methylhexyl]cyclohexa-2,4-diene-1-thiol
CID 89228152
(3S)-3-methyl-6-methylidenehenicosane
CID 174024311
[7-(6-cyclohexyl-5-methyl-3-methylidenehexyl)-2,11,13-trimethyl-4,9-dimethylideneheptadecyl]cyclohexane
CID 156722610
(E)-7-methylnon-2-en-3-amine
CID 171817711

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(E)-7-chloro-5-ethenyl-2-methylidenenon-7-enyl]-5-ethyl-1-(4-methylhexyl)cyclopentene?
The IUPAC name of (5R)-3-[(E)-7-chloro-5-ethenyl-2-methylidenenon-7-enyl]-5-ethyl-1-(4-methylhexyl)cyclopentene (CID 89228149) is (5R)-3-[(E)-7-chloro-5-ethenyl-2-methylidenenon-7-enyl]-5-ethyl-1-(4-methylhexyl)cyclopentene.
What is the SMILES notation for (5R)-3-[(E)-7-chloro-5-ethenyl-2-methylidenenon-7-enyl]-5-ethyl-1-(4-methylhexyl)cyclopentene?
The canonical SMILES for (5R)-3-[(E)-7-chloro-5-ethenyl-2-methylidenenon-7-enyl]-5-ethyl-1-(4-methylhexyl)cyclopentene is C=CC(CCC(=C)CC1C=C(CCCC(C)CC)[C@H](CC)C1)C/C(Cl)=C\C.
What is the InChIKey of (5R)-3-[(E)-7-chloro-5-ethenyl-2-methylidenenon-7-enyl]-5-ethyl-1-(4-methylhexyl)cyclopentene?
The InChIKey is VUVUGMWXEDDXII-ZVTXOAJVSA-N. The full InChI is InChI=1S/C26H43Cl/c1-7-20(5)12-11-13-25-18-23(17-24(25)9-3)16-21(6)14-15-22(8-2)19-26(27)10-4/h8,10,18,20,22-24H,2,6-7,9,11-17,19H2,1,3-5H3/b26-10+/t20?,22?,23?,24-/m1/s1.
What are the key properties of (5R)-3-[(E)-7-chloro-5-ethenyl-2-methylidenenon-7-enyl]-5-ethyl-1-(4-methylhexyl)cyclopentene?
(5R)-3-[(E)-7-chloro-5-ethenyl-2-methylidenenon-7-enyl]-5-ethyl-1-(4-methylhexyl)cyclopentene has a molecular weight of 391.08 g/mol, XLogP of 9.24, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(E)-7-chloro-5-ethenyl-2-methylidenenon-7-enyl]-5-ethyl-1-(4-methylhexyl)cyclopentene is sourced from PubChem (CID 89228149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).