(1E)-2-methylocta-1,7-dien-1-ol

C9H16O — CID 88908688

IUPAC(1E)-2-methylocta-1,7-dien-1-ol
SMILESC=CCCCC/C(C)=C/O
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-9(2)8-10/h3,8,10H,1,4-7H2,2H3/b9-8+
InChIKeyMTXQXDFAJIGEFS-CMDGGOBGSA-N
MW140.23 g/mol
LogP3.19
Rot. Bonds5

About (1E)-2-methylocta-1,7-dien-1-ol

(1E)-2-methylocta-1,7-dien-1-ol (PubChem CID 88908688) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1E)-2-methylocta-1,7-dien-1-ol.

Molecular Properties

Compound Name(1E)-2-methylocta-1,7-dien-1-ol
PubChem CID88908688
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1E)-2-methylocta-1,7-dien-1-ol
SMILESC=CCCCC/C(C)=C/O
InChIInChI=1S/C9H16O/c1-3-4-5-6-7-9(2)8-10/h3,8,10H,1,4-7H2,2H3/b9-8+
InChIKeyMTXQXDFAJIGEFS-CMDGGOBGSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

11-methyltrideca-1,11-diene
CID 139774754
3-methylpentadeca-2,14-dienoic acid
CID 54228685
7-ethyl-8-methylnona-1,7-diene
CID 174916778
9-methylideneicosa-1,19-diene
CID 173334659
pentadec-14-enoyl bromide
CID 155164033
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
2-methoxyocta-1,7-diene
CID 16726270
7-ethylnona-1,7-diene
CID 54551079
2,6-dimethylocta-1,5,7-trien-1-ol
CID 176884331
7-methylidenedec-1-ene
CID 123417470
tricosa-1,22-dien-12-one
CID 86210796

Frequently Asked Questions

What is the IUPAC name of (1E)-2-methylocta-1,7-dien-1-ol?
The IUPAC name of (1E)-2-methylocta-1,7-dien-1-ol (CID 88908688) is (1E)-2-methylocta-1,7-dien-1-ol.
What is the SMILES notation for (1E)-2-methylocta-1,7-dien-1-ol?
The canonical SMILES for (1E)-2-methylocta-1,7-dien-1-ol is C=CCCCC/C(C)=C/O.
What is the InChIKey of (1E)-2-methylocta-1,7-dien-1-ol?
The InChIKey is MTXQXDFAJIGEFS-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-5-6-7-9(2)8-10/h3,8,10H,1,4-7H2,2H3/b9-8+.
What are the key properties of (1E)-2-methylocta-1,7-dien-1-ol?
(1E)-2-methylocta-1,7-dien-1-ol has a molecular weight of 140.23 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-methylocta-1,7-dien-1-ol is sourced from PubChem (CID 88908688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).