(5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol

C16H28O — CID 15599953

IUPAC(5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol
SMILESCC(C)=CCC/C(C)=C/CCC(C)(O)C1CC1
InChIInChI=1S/C16H28O/c1-13(2)7-5-8-14(3)9-6-12-16(4,17)15-10-11-15/h7,9,15,17H,5-6,8,10-12H2,1-4H3/b14-9+
InChIKeyCGZJVJYLLSMCDK-NTEUORMPSA-N
MW236.40 g/mol
LogP4.62
Rot. Bonds7

About (5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol

(5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol (PubChem CID 15599953) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol.

Molecular Properties

Compound Name(5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol
PubChem CID15599953
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol
SMILESCC(C)=CCC/C(C)=C/CCC(C)(O)C1CC1
InChIInChI=1S/C16H28O/c1-13(2)7-5-8-14(3)9-6-12-16(4,17)15-10-11-15/h7,9,15,17H,5-6,8,10-12H2,1-4H3/b14-9+
InChIKeyCGZJVJYLLSMCDK-NTEUORMPSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,34-pentaene-1,19,23,27,31-pentol
CID 3035757
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene
CID 163844448
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(6E)-3,7,11-trimethyl(1,2-13C2)dodeca-6,10-dien-1-yn-3-ol
CID 165353227
(4Z)-2,5,9-trimethyldeca-4,8-dien-2-ol
CID 24976055
(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol
CID 134827941

Frequently Asked Questions

What is the IUPAC name of (5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol?
The IUPAC name of (5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol (CID 15599953) is (5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol.
What is the SMILES notation for (5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol?
The canonical SMILES for (5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol is CC(C)=CCC/C(C)=C/CCC(C)(O)C1CC1.
What is the InChIKey of (5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol?
The InChIKey is CGZJVJYLLSMCDK-NTEUORMPSA-N. The full InChI is InChI=1S/C16H28O/c1-13(2)7-5-8-14(3)9-6-12-16(4,17)15-10-11-15/h7,9,15,17H,5-6,8,10-12H2,1-4H3/b14-9+.
What are the key properties of (5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol?
(5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol has a molecular weight of 236.40 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol is sourced from PubChem (CID 15599953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).