octa-1,2-dien-4-ol

C8H14O — CID 10855460

IUPACocta-1,2-dien-4-ol
SMILESC=C=CC(O)CCCC
InChIInChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h6,8-9H,2-3,5,7H2,1H3
InChIKeyBWNZFXIKXMGQHF-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.88
Rot. Bonds4

About octa-1,2-dien-4-ol

octa-1,2-dien-4-ol (PubChem CID 10855460) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is octa-1,2-dien-4-ol.

Molecular Properties

Compound Nameocta-1,2-dien-4-ol
PubChem CID10855460
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Nameocta-1,2-dien-4-ol
SMILESC=C=CC(O)CCCC
InChIInChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h6,8-9H,2-3,5,7H2,1H3
InChIKeyBWNZFXIKXMGQHF-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-1,2-dien-4-ol?
The IUPAC name of octa-1,2-dien-4-ol (CID 10855460) is octa-1,2-dien-4-ol.
What is the SMILES notation for octa-1,2-dien-4-ol?
The canonical SMILES for octa-1,2-dien-4-ol is C=C=CC(O)CCCC.
What is the InChIKey of octa-1,2-dien-4-ol?
The InChIKey is BWNZFXIKXMGQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h6,8-9H,2-3,5,7H2,1H3.
What are the key properties of octa-1,2-dien-4-ol?
octa-1,2-dien-4-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-1,2-dien-4-ol is sourced from PubChem (CID 10855460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).