heptan-1-ol;pent-3-en-2-ol

C12H26O2 — CID 161078039

IUPACheptan-1-ol;pent-3-en-2-ol
SMILESCC=CC(C)O.CCCCCCCO
InChIInChI=1S/C7H16O.C5H10O/c1-2-3-4-5-6-7-8;1-3-4-5(2)6/h8H,2-7H2,1H3;3-6H,1-2H3
InChIKeyUFNUBTCVRIOTSP-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.89
Rot. Bonds6

About heptan-1-ol;pent-3-en-2-ol

heptan-1-ol;pent-3-en-2-ol (PubChem CID 161078039) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is heptan-1-ol;pent-3-en-2-ol.

Molecular Properties

Compound Nameheptan-1-ol;pent-3-en-2-ol
PubChem CID161078039
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Nameheptan-1-ol;pent-3-en-2-ol
SMILESCC=CC(C)O.CCCCCCCO
InChIInChI=1S/C7H16O.C5H10O/c1-2-3-4-5-6-7-8;1-3-4-5(2)6/h8H,2-7H2,1H3;3-6H,1-2H3
InChIKeyUFNUBTCVRIOTSP-UHFFFAOYSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(E)-hex-3-ene-2,5-diol;octane-1,8-diol
CID 18968496
hexan-1-ol;2-methylpropane
CID 159802705
heptan-1-ol;nonan-1-ol
CID 160785033
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242

Frequently Asked Questions

What is the IUPAC name of heptan-1-ol;pent-3-en-2-ol?
The IUPAC name of heptan-1-ol;pent-3-en-2-ol (CID 161078039) is heptan-1-ol;pent-3-en-2-ol.
What is the SMILES notation for heptan-1-ol;pent-3-en-2-ol?
The canonical SMILES for heptan-1-ol;pent-3-en-2-ol is CC=CC(C)O.CCCCCCCO.
What is the InChIKey of heptan-1-ol;pent-3-en-2-ol?
The InChIKey is UFNUBTCVRIOTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.C5H10O/c1-2-3-4-5-6-7-8;1-3-4-5(2)6/h8H,2-7H2,1H3;3-6H,1-2H3.
What are the key properties of heptan-1-ol;pent-3-en-2-ol?
heptan-1-ol;pent-3-en-2-ol has a molecular weight of 202.34 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-1-ol;pent-3-en-2-ol is sourced from PubChem (CID 161078039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).