(2Z,5E)-5-methylocta-2,5-dien-4-ol

C9H16O — CID 172570769

IUPAC(2Z,5E)-5-methylocta-2,5-dien-4-ol
SMILESC/C=C\C(O)/C(C)=C/CC
InChIInChI=1S/C9H16O/c1-4-6-8(3)9(10)7-5-2/h5-7,9-10H,4H2,1-3H3/b7-5-,8-6+
InChIKeyGYQYKWRVMRSRII-CGXWXWIYSA-N
MW140.23 g/mol
LogP2.28
Rot. Bonds3

About (2Z,5E)-5-methylocta-2,5-dien-4-ol

(2Z,5E)-5-methylocta-2,5-dien-4-ol (PubChem CID 172570769) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2Z,5E)-5-methylocta-2,5-dien-4-ol.

Molecular Properties

Compound Name(2Z,5E)-5-methylocta-2,5-dien-4-ol
PubChem CID172570769
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2Z,5E)-5-methylocta-2,5-dien-4-ol
SMILESC/C=C\C(O)/C(C)=C/CC
InChIInChI=1S/C9H16O/c1-4-6-8(3)9(10)7-5-2/h5-7,9-10H,4H2,1-3H3/b7-5-,8-6+
InChIKeyGYQYKWRVMRSRII-CGXWXWIYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methylhepta-2,5-dien-4-ol
CID 130124822
(E,2R)-3-methylhex-3-en-2-amine
CID 146859099
(Z)-4,5-dimethylhept-3-ene
CID 142511472
(5E)-2,5-dimethylocta-1,5-dien-4-ol
CID 10796974
(Z)-2-propan-2-yloxypent-2-ene
CID 145137792
(E,2R)-2,3-dimethylhex-3-enal
CID 88870284
(E)-hex-4-en-3-ol
CID 5366234
4-prop-1-en-2-ylocta-2,5-diene
CID 141105278
(Z)-4-bromopent-2-ene;(E)-2-methylpent-2-enal
CID 143343622
N-[(E)-3-methylhex-3-en-2-yl]methanimine
CID 143536776
(Z,3S,4S)-hept-5-ene-3,4-diol
CID 134854667
(E)-N-ethyl-N,3-dimethylhex-3-en-2-amine
CID 163431483

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-5-methylocta-2,5-dien-4-ol?
The IUPAC name of (2Z,5E)-5-methylocta-2,5-dien-4-ol (CID 172570769) is (2Z,5E)-5-methylocta-2,5-dien-4-ol.
What is the SMILES notation for (2Z,5E)-5-methylocta-2,5-dien-4-ol?
The canonical SMILES for (2Z,5E)-5-methylocta-2,5-dien-4-ol is C/C=C\C(O)/C(C)=C/CC.
What is the InChIKey of (2Z,5E)-5-methylocta-2,5-dien-4-ol?
The InChIKey is GYQYKWRVMRSRII-CGXWXWIYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-6-8(3)9(10)7-5-2/h5-7,9-10H,4H2,1-3H3/b7-5-,8-6+.
What are the key properties of (2Z,5E)-5-methylocta-2,5-dien-4-ol?
(2Z,5E)-5-methylocta-2,5-dien-4-ol has a molecular weight of 140.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-5-methylocta-2,5-dien-4-ol is sourced from PubChem (CID 172570769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).