(4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol

C15H26O — CID 5352147

IUPAC(4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol
SMILESC=C(C)C(CO)C/C=C(/C)CCC=C(C)C
InChIInChI=1S/C15H26O/c1-12(2)7-6-8-14(5)9-10-15(11-16)13(3)4/h7,9,15-16H,3,6,8,10-11H2,1-2,4-5H3/b14-9-
InChIKeyJTSPVWIYQLSMER-ZROIWOOFSA-N
MW222.37 g/mol
LogP4.25
Rot. Bonds7

About (4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol

(4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol (PubChem CID 5352147) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol.

Molecular Properties

Compound Name(4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol
PubChem CID5352147
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol
SMILESC=C(C)C(CO)C/C=C(/C)CCC=C(C)C
InChIInChI=1S/C15H26O/c1-12(2)7-6-8-14(5)9-10-15(11-16)13(3)4/h7,9,15-16H,3,6,8,10-11H2,1-2,4-5H3/b14-9-
InChIKeyJTSPVWIYQLSMER-ZROIWOOFSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol?
The IUPAC name of (4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol (CID 5352147) is (4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol.
What is the SMILES notation for (4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol?
The canonical SMILES for (4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol is C=C(C)C(CO)C/C=C(/C)CCC=C(C)C.
What is the InChIKey of (4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol?
The InChIKey is JTSPVWIYQLSMER-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H26O/c1-12(2)7-6-8-14(5)9-10-15(11-16)13(3)4/h7,9,15-16H,3,6,8,10-11H2,1-2,4-5H3/b14-9-.
What are the key properties of (4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol?
(4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5,9-dimethyl-2-prop-1-en-2-yldeca-4,8-dien-1-ol is sourced from PubChem (CID 5352147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).