hept-2-ene;methanol

C8H18O — CID 135236025

IUPAChept-2-ene;methanol
SMILESCC=CCCCC.CO
InChIInChI=1S/C7H14.CH4O/c1-3-5-7-6-4-2;1-2/h3,5H,4,6-7H2,1-2H3;2H,1H3
InChIKeyOUBMQCSCPULXSF-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.36
Rot. Bonds3

About hept-2-ene;methanol

hept-2-ene;methanol (PubChem CID 135236025) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is hept-2-ene;methanol.

Molecular Properties

Compound Namehept-2-ene;methanol
PubChem CID135236025
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Namehept-2-ene;methanol
SMILESCC=CCCCC.CO
InChIInChI=1S/C7H14.CH4O/c1-3-5-7-6-4-2;1-2/h3,5H,4,6-7H2,1-2H3;2H,1H3
InChIKeyOUBMQCSCPULXSF-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,7E)-dodeca-2,7-diene
CID 173295735
(Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene
CID 159947786
pentadeca-2,10-diene
CID 174048350
(Z)-oct-2-ene
CID 5356796
formic acid;oct-2-ene
CID 159391664
(Z)-icos-2-ene
CID 5352524
oct-2-ene;hydrochloride
CID 86744102
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001
hexane;(Z)-hex-2-ene
CID 159343029
(2Z,6E)-dodeca-2,6-diene;palladium
CID 158734810
sodium;hydride;octadec-2-ene
CID 175594563

Frequently Asked Questions

What is the IUPAC name of hept-2-ene;methanol?
The IUPAC name of hept-2-ene;methanol (CID 135236025) is hept-2-ene;methanol.
What is the SMILES notation for hept-2-ene;methanol?
The canonical SMILES for hept-2-ene;methanol is CC=CCCCC.CO.
What is the InChIKey of hept-2-ene;methanol?
The InChIKey is OUBMQCSCPULXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.CH4O/c1-3-5-7-6-4-2;1-2/h3,5H,4,6-7H2,1-2H3;2H,1H3.
What are the key properties of hept-2-ene;methanol?
hept-2-ene;methanol has a molecular weight of 130.23 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-2-ene;methanol is sourced from PubChem (CID 135236025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).