[(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane

C38H70 — CID 143889008

IUPAC[(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane
SMILESC(=C/C1CCCC1)\CCCc1ccccc1.C/C=C\CCC/C(=C/C)C(C)C(C)CC.CC.CC.CCC
InChIInChI=1S/C16H22.C15H28.C3H8.2C2H6/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-16;1-6-9-10-11-12-15(8-3)14(5)13(4)7-2;1-3-2;2*1-2/h1,3-4,6,9-10,12,16H,2,5,7-8,11,13-14H2;6,8-9,13-14H,7,10-12H2,1-5H3;3H2,1-2H3;2*1-2H3/b12-6+;9-6-,15-8-;;;
InChIKeyICFZPDLQLAKWSL-XZCZBKSBSA-N
MW526.98 g/mol
LogP13.59
Rot. Bonds12

About [(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane

[(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane (PubChem CID 143889008) has the molecular formula C38H70 and a molecular weight of 526.98 g/mol. Its IUPAC name is [(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane.

Molecular Properties

Compound Name[(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane
PubChem CID143889008
Molecular FormulaC38H70
Molecular Weight526.98 g/mol
Exact Mass526.55
IUPAC Name[(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane
SMILESC(=C/C1CCCC1)\CCCc1ccccc1.C/C=C\CCC/C(=C/C)C(C)C(C)CC.CC.CC.CCC
InChIInChI=1S/C16H22.C15H28.C3H8.2C2H6/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-16;1-6-9-10-11-12-15(8-3)14(5)13(4)7-2;1-3-2;2*1-2/h1,3-4,6,9-10,12,16H,2,5,7-8,11,13-14H2;6,8-9,13-14H,7,10-12H2,1-5H3;3H2,1-2H3;2*1-2H3/b12-6+;9-6-,15-8-;;;
InChIKeyICFZPDLQLAKWSL-XZCZBKSBSA-N
XLogP13.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.98
LogP ≤ 513.59
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

[(E)-5-cyclohexylpent-4-enyl]benzene;methanol;propan-2-yl (Z)-hept-5-enoate
CID 143896573
[(E)-5-cyclopentylpent-4-enyl]benzene;ethane;bis(1-ethoxyethanol);(Z)-hept-5-enoic acid
CID 145386551
[(E)-5-cyclopentylpent-4-enyl]benzene;(Z)-N-ethylhept-5-enamide;tris(oxan-2-ol)
CID 145386549
(Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol
CID 144501828
but-1-ynylcyclobutane;4-cyclobutylbutanoic acid;[(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z)-hept-5-enal;methylcyanamide
CID 143888993
[(E)-4-cyclopropylbut-3-enyl]benzene
CID 169432340
[(E)-1-cyclopentyl-5-phenylpent-1-en-3-yl] 6-nitrooxyhexanoate;(Z)-N-ethylhept-5-enamide
CID 164855443
3-phenylpropyl (E)-3-cyclopentylprop-2-enoate
CID 10634969
(E)-1-cyclopentyl-5-phenylpent-1-en-3-ol
CID 10263265
1-hex-4-enyl-4-phenylbenzene
CID 174423294
2-[(E)-5-phenylpent-1-enyl]oxane
CID 10242966
[(E)-oct-6-enyl]benzene;prop-1-ene
CID 142802377

Frequently Asked Questions

What is the IUPAC name of [(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane?
The IUPAC name of [(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane (CID 143889008) is [(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane.
What is the SMILES notation for [(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane?
The canonical SMILES for [(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane is C(=C/C1CCCC1)\CCCc1ccccc1.C/C=C\CCC/C(=C/C)C(C)C(C)CC.CC.CC.CCC.
What is the InChIKey of [(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane?
The InChIKey is ICFZPDLQLAKWSL-XZCZBKSBSA-N. The full InChI is InChI=1S/C16H22.C15H28.C3H8.2C2H6/c1-3-9-15(10-4-1)11-5-2-6-12-16-13-7-8-14-16;1-6-9-10-11-12-15(8-3)14(5)13(4)7-2;1-3-2;2*1-2/h1,3-4,6,9-10,12,16H,2,5,7-8,11,13-14H2;6,8-9,13-14H,7,10-12H2,1-5H3;3H2,1-2H3;2*1-2H3/b12-6+;9-6-,15-8-;;;.
What are the key properties of [(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane?
[(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane has a molecular weight of 526.98 g/mol, XLogP of 13.59, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-cyclopentylpent-4-enyl]benzene;ethane;(Z,7Z)-7-ethylidene-8,9-dimethylundec-2-ene;propane is sourced from PubChem (CID 143889008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).