octa-6,7-dien-3-ol

C8H14O — CID 11018878

IUPACocta-6,7-dien-3-ol
SMILESC=C=CCCC(O)CC
InChIInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h5,8-9H,1,4,6-7H2,2H3
InChIKeyXVWUCMOKLRQMJD-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.88
Rot. Bonds4

About octa-6,7-dien-3-ol

octa-6,7-dien-3-ol (PubChem CID 11018878) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is octa-6,7-dien-3-ol.

Molecular Properties

Compound Nameocta-6,7-dien-3-ol
PubChem CID11018878
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Nameocta-6,7-dien-3-ol
SMILESC=C=CCCC(O)CC
InChIInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h5,8-9H,1,4,6-7H2,2H3
InChIKeyXVWUCMOKLRQMJD-UHFFFAOYSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of octa-6,7-dien-3-ol?
The IUPAC name of octa-6,7-dien-3-ol (CID 11018878) is octa-6,7-dien-3-ol.
What is the SMILES notation for octa-6,7-dien-3-ol?
The canonical SMILES for octa-6,7-dien-3-ol is C=C=CCCC(O)CC.
What is the InChIKey of octa-6,7-dien-3-ol?
The InChIKey is XVWUCMOKLRQMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h5,8-9H,1,4,6-7H2,2H3.
What are the key properties of octa-6,7-dien-3-ol?
octa-6,7-dien-3-ol has a molecular weight of 126.20 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octa-6,7-dien-3-ol is sourced from PubChem (CID 11018878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).