(3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol

C15H26O — CID 87224782

IUPAC(3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol
SMILESC=C(C)CC[C@H](C/C=C(/C)CCO)C(=C)C
InChIInChI=1S/C15H26O/c1-12(2)6-8-15(13(3)4)9-7-14(5)10-11-16/h7,15-16H,1,3,6,8-11H2,2,4-5H3/b14-7-/t15-/m1/s1
InChIKeyPGOGPYLFUYAQHI-XIEDVDOYSA-N
MW222.37 g/mol
LogP4.25
Rot. Bonds8

About (3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol

(3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol (PubChem CID 87224782) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol.

Molecular Properties

Compound Name(3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol
PubChem CID87224782
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol
SMILESC=C(C)CC[C@H](C/C=C(/C)CCO)C(=C)C
InChIInChI=1S/C15H26O/c1-12(2)6-8-15(13(3)4)9-7-14(5)10-11-16/h7,15-16H,1,3,6,8-11H2,2,4-5H3/b14-7-/t15-/m1/s1
InChIKeyPGOGPYLFUYAQHI-XIEDVDOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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 (3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol?
The IUPAC name of (3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol (CID 87224782) is (3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol.
What is the SMILES notation for (3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol?
The canonical SMILES for (3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol is C=C(C)CC[C@H](C/C=C(/C)CCO)C(=C)C.
What is the InChIKey of (3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol?
The InChIKey is PGOGPYLFUYAQHI-XIEDVDOYSA-N. The full InChI is InChI=1S/C15H26O/c1-12(2)6-8-15(13(3)4)9-7-14(5)10-11-16/h7,15-16H,1,3,6,8-11H2,2,4-5H3/b14-7-/t15-/m1/s1.
What are the key properties of (3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol?
(3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol is sourced from PubChem (CID 87224782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).