(Z)-non-6-ene-1,1-diol

C9H18O2 — CID 170555028

IUPAC(Z)-non-6-ene-1,1-diol
SMILESCC/C=C\CCCCC(O)O
InChIInChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h3-4,9-11H,2,5-8H2,1H3/b4-3-
InChIKeyVABRTCIRBVJBMM-ARJAWSKDSA-N
MW158.24 g/mol
LogP1.82
Rot. Bonds6

About (Z)-non-6-ene-1,1-diol

(Z)-non-6-ene-1,1-diol (PubChem CID 170555028) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (Z)-non-6-ene-1,1-diol.

Molecular Properties

Compound Name(Z)-non-6-ene-1,1-diol
PubChem CID170555028
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(Z)-non-6-ene-1,1-diol
SMILESCC/C=C\CCCCC(O)O
InChIInChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h3-4,9-11H,2,5-8H2,1H3/b4-3-
InChIKeyVABRTCIRBVJBMM-ARJAWSKDSA-N
XLogP1.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

dodec-8-ene-1,1-diol
CID 90860381
(E,2R)-dec-7-en-2-ol
CID 89151124
(E)-undec-8-en-2-ol
CID 118316981
(3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol
CID 121330977
(E,2S)-non-6-en-2-ol
CID 12835465
(Z)-non-6-en-2-ol
CID 12835464
10-methylundec-3-ene
CID 544769
(3E,16E)-nonadeca-3,16-diene
CID 157471321
(Z,2R)-2-fluorodec-7-enal
CID 134894209
hexadec-13-en-5-yn-7-ol
CID 71428203
(3Z,6Z,9Z,12Z,15Z)-21-methyldocosa-3,6,9,12,15-pentaene
CID 173133172
dec-7-ene-2,3-diol
CID 142773808

Frequently Asked Questions

What is the IUPAC name of (Z)-non-6-ene-1,1-diol?
The IUPAC name of (Z)-non-6-ene-1,1-diol (CID 170555028) is (Z)-non-6-ene-1,1-diol.
What is the SMILES notation for (Z)-non-6-ene-1,1-diol?
The canonical SMILES for (Z)-non-6-ene-1,1-diol is CC/C=C\CCCCC(O)O.
What is the InChIKey of (Z)-non-6-ene-1,1-diol?
The InChIKey is VABRTCIRBVJBMM-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h3-4,9-11H,2,5-8H2,1H3/b4-3-.
What are the key properties of (Z)-non-6-ene-1,1-diol?
(Z)-non-6-ene-1,1-diol has a molecular weight of 158.24 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-non-6-ene-1,1-diol is sourced from PubChem (CID 170555028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).