octa-3,5-dien-2-ol

C8H14O — CID 543636

IUPACocta-3,5-dien-2-ol
SMILESCCC=CC=CC(C)O
InChIInChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-9H,3H2,1-2H3
InChIKeyRQQKJGCMOJSSOV-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.89
Rot. Bonds3

About octa-3,5-dien-2-ol

octa-3,5-dien-2-ol (PubChem CID 543636) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is octa-3,5-dien-2-ol.

Molecular Properties

Compound Nameocta-3,5-dien-2-ol
PubChem CID543636
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Nameocta-3,5-dien-2-ol
SMILESCCC=CC=CC(C)O
InChIInChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-9H,3H2,1-2H3
InChIKeyRQQKJGCMOJSSOV-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5E)-octa-3,5-diene
CID 173104147
(3S,5R,6R,7E,9Z)-6-methyldodeca-7,9-diene-3,5-diol
CID 88931873
(E,3R)-2-methylhept-4-en-3-ol
CID 59911150
hept-4-ene-2,3-diol
CID 54484674
2-methylhept-4-en-3-ol
CID 54499499
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
5-aminopent-3-en-2-ol
CID 90709459
(E)-2-methylhept-4-ene-1,3-diol
CID 14758919
(2E,4E,9E,11E,13S)-13-hydroxytetradeca-2,4,9,11-tetraenoic acid
CID 12988297
3-methylhept-4-en-2-ol
CID 90779417
(9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid
CID 12988295
(5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid
CID 20579712

Frequently Asked Questions

What is the IUPAC name of octa-3,5-dien-2-ol?
The IUPAC name of octa-3,5-dien-2-ol (CID 543636) is octa-3,5-dien-2-ol.
What is the SMILES notation for octa-3,5-dien-2-ol?
The canonical SMILES for octa-3,5-dien-2-ol is CCC=CC=CC(C)O.
What is the InChIKey of octa-3,5-dien-2-ol?
The InChIKey is RQQKJGCMOJSSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h4-9H,3H2,1-2H3.
What are the key properties of octa-3,5-dien-2-ol?
octa-3,5-dien-2-ol has a molecular weight of 126.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octa-3,5-dien-2-ol is sourced from PubChem (CID 543636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).