1-propoxyoct-7-en-3-ol

C11H22O2 — CID 105102038

IUPAC1-propoxyoct-7-en-3-ol
SMILESC=CCCCC(O)CCOCCC
InChIInChI=1S/C11H22O2/c1-3-5-6-7-11(12)8-10-13-9-4-2/h3,11-12H,1,4-10H2,2H3
InChIKeyDGHXFXPGXXHDGT-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.52
Rot. Bonds9

About 1-propoxyoct-7-en-3-ol

1-propoxyoct-7-en-3-ol (PubChem CID 105102038) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-propoxyoct-7-en-3-ol.

Molecular Properties

Compound Name1-propoxyoct-7-en-3-ol
PubChem CID105102038
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-propoxyoct-7-en-3-ol
SMILESC=CCCCC(O)CCOCCC
InChIInChI=1S/C11H22O2/c1-3-5-6-7-11(12)8-10-13-9-4-2/h3,11-12H,1,4-10H2,2H3
InChIKeyDGHXFXPGXXHDGT-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
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

1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol
CID 103147617
1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol
CID 87864573
nonadec-18-en-7-ol
CID 54362965
(9S)-heptadec-1-en-9-ol
CID 86644250
(Z,3R)-1-butoxytetradec-7-en-3-ol
CID 164718486
6-ethylsulfonyl-1-propoxyhexan-3-ol
CID 105101770
1-methoxydec-9-ene-3,6-diol
CID 91577196
4-but-3-enoxybutane-1,2-diol
CID 171403139
(6R,8R)-trideca-1,12-diene-6,8-diol
CID 10584668
1-ethoxy-4-propoxybutan-2-ol
CID 105111761
dodecakis(hex-1-ene);3-pentoxypropane-1,2-diol
CID 174793085
nona-1,8-dien-4-ol
CID 14385456

Frequently Asked Questions

What is the IUPAC name of 1-propoxyoct-7-en-3-ol?
The IUPAC name of 1-propoxyoct-7-en-3-ol (CID 105102038) is 1-propoxyoct-7-en-3-ol.
What is the SMILES notation for 1-propoxyoct-7-en-3-ol?
The canonical SMILES for 1-propoxyoct-7-en-3-ol is C=CCCCC(O)CCOCCC.
What is the InChIKey of 1-propoxyoct-7-en-3-ol?
The InChIKey is DGHXFXPGXXHDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-5-6-7-11(12)8-10-13-9-4-2/h3,11-12H,1,4-10H2,2H3.
What are the key properties of 1-propoxyoct-7-en-3-ol?
1-propoxyoct-7-en-3-ol has a molecular weight of 186.29 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxyoct-7-en-3-ol is sourced from PubChem (CID 105102038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).