1-propan-2-yloxyhept-6-en-2-ol

C10H20O2 — CID 105102103

IUPAC1-propan-2-yloxyhept-6-en-2-ol
SMILESC=CCCCC(O)COC(C)C
InChIInChI=1S/C10H20O2/c1-4-5-6-7-10(11)8-12-9(2)3/h4,9-11H,1,5-8H2,2-3H3
InChIKeySODAFIUESAZLFZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.13
Rot. Bonds7

About 1-propan-2-yloxyhept-6-en-2-ol

1-propan-2-yloxyhept-6-en-2-ol (PubChem CID 105102103) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-propan-2-yloxyhept-6-en-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxyhept-6-en-2-ol
PubChem CID105102103
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-propan-2-yloxyhept-6-en-2-ol
SMILESC=CCCCC(O)COC(C)C
InChIInChI=1S/C10H20O2/c1-4-5-6-7-10(11)8-12-9(2)3/h4,9-11H,1,5-8H2,2-3H3
InChIKeySODAFIUESAZLFZ-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.13
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-hydroxydec-9-enoxy)dec-9-en-2-ol
CID 87864573
6-methyl-1-propan-2-yloxyheptan-2-ol
CID 105122821
(2R)-1-propan-2-yloxypent-4-en-2-ol
CID 130127578
1-[(2-methylpropan-2-yl)oxy]non-8-en-2-ol
CID 107012250
(6R,8R)-trideca-1,12-diene-6,8-diol
CID 10584668
2-ethoxyoct-7-en-3-ol
CID 64541753
1-propan-2-yloxy-4-prop-2-enoxypentan-2-ol
CID 138664594
nona-1,8-dien-4-ol
CID 14385456
1-propoxyoct-7-en-3-ol
CID 105102038
1,1-diethoxyhept-6-en-2-ol
CID 79496437
(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol
CID 158358225
5-phenyl-1-propan-2-yloxypentan-2-ol
CID 14984664

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxyhept-6-en-2-ol?
The IUPAC name of 1-propan-2-yloxyhept-6-en-2-ol (CID 105102103) is 1-propan-2-yloxyhept-6-en-2-ol.
What is the SMILES notation for 1-propan-2-yloxyhept-6-en-2-ol?
The canonical SMILES for 1-propan-2-yloxyhept-6-en-2-ol is C=CCCCC(O)COC(C)C.
What is the InChIKey of 1-propan-2-yloxyhept-6-en-2-ol?
The InChIKey is SODAFIUESAZLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-6-7-10(11)8-12-9(2)3/h4,9-11H,1,5-8H2,2-3H3.
What are the key properties of 1-propan-2-yloxyhept-6-en-2-ol?
1-propan-2-yloxyhept-6-en-2-ol has a molecular weight of 172.27 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxyhept-6-en-2-ol is sourced from PubChem (CID 105102103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).