(4R)-3,6-dimethylhepta-1,2-dien-4-ol

C9H16O — CID 102533408

IUPAC(4R)-3,6-dimethylhepta-1,2-dien-4-ol
SMILESC=C=C(C)[C@H](O)CC(C)C
InChIInChI=1S/C9H16O/c1-5-8(4)9(10)6-7(2)3/h7,9-10H,1,6H2,2-4H3/t9-/m1/s1
InChIKeyVYZCAKGRRQOZJS-SECBINFHSA-N
MW140.23 g/mol
LogP2.12
Rot. Bonds3

About (4R)-3,6-dimethylhepta-1,2-dien-4-ol

(4R)-3,6-dimethylhepta-1,2-dien-4-ol (PubChem CID 102533408) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (4R)-3,6-dimethylhepta-1,2-dien-4-ol.

Molecular Properties

Compound Name(4R)-3,6-dimethylhepta-1,2-dien-4-ol
PubChem CID102533408
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(4R)-3,6-dimethylhepta-1,2-dien-4-ol
SMILESC=C=C(C)[C@H](O)CC(C)C
InChIInChI=1S/C9H16O/c1-5-8(4)9(10)6-7(2)3/h7,9-10H,1,6H2,2-4H3/t9-/m1/s1
InChIKeyVYZCAKGRRQOZJS-SECBINFHSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,6-dimethylhepta-1,2-dien-4-ol?
The IUPAC name of (4R)-3,6-dimethylhepta-1,2-dien-4-ol (CID 102533408) is (4R)-3,6-dimethylhepta-1,2-dien-4-ol.
What is the SMILES notation for (4R)-3,6-dimethylhepta-1,2-dien-4-ol?
The canonical SMILES for (4R)-3,6-dimethylhepta-1,2-dien-4-ol is C=C=C(C)[C@H](O)CC(C)C.
What is the InChIKey of (4R)-3,6-dimethylhepta-1,2-dien-4-ol?
The InChIKey is VYZCAKGRRQOZJS-SECBINFHSA-N. The full InChI is InChI=1S/C9H16O/c1-5-8(4)9(10)6-7(2)3/h7,9-10H,1,6H2,2-4H3/t9-/m1/s1.
What are the key properties of (4R)-3,6-dimethylhepta-1,2-dien-4-ol?
(4R)-3,6-dimethylhepta-1,2-dien-4-ol has a molecular weight of 140.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,6-dimethylhepta-1,2-dien-4-ol is sourced from PubChem (CID 102533408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).