(Z,3S)-2,2-dimethylnon-4-en-3-ol

C11H22O — CID 129365171

IUPAC(Z,3S)-2,2-dimethylnon-4-en-3-ol
SMILESCCCC/C=C\[C@H](O)C(C)(C)C
InChIInChI=1S/C11H22O/c1-5-6-7-8-9-10(12)11(2,3)4/h8-10,12H,5-7H2,1-4H3/b9-8-/t10-/m0/s1
InChIKeyDXSRWTLSYROVJV-QROTZFDESA-N
MW170.30 g/mol
LogP3.14
Rot. Bonds4

About (Z,3S)-2,2-dimethylnon-4-en-3-ol

(Z,3S)-2,2-dimethylnon-4-en-3-ol (PubChem CID 129365171) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (Z,3S)-2,2-dimethylnon-4-en-3-ol.

Molecular Properties

Compound Name(Z,3S)-2,2-dimethylnon-4-en-3-ol
PubChem CID129365171
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(Z,3S)-2,2-dimethylnon-4-en-3-ol
SMILESCCCC/C=C\[C@H](O)C(C)(C)C
InChIInChI=1S/C11H22O/c1-5-6-7-8-9-10(12)11(2,3)4/h8-10,12H,5-7H2,1-4H3/b9-8-/t10-/m0/s1
InChIKeyDXSRWTLSYROVJV-QROTZFDESA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.14
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

(E)-hept-2-ene-1,1-diol
CID 87660901
(Z,2R)-1,1,1-trifluorodec-3-en-2-ol
CID 14319405
(Z,2S,3R)-non-4-ene-2,3-diol
CID 11321105
(Z,2R)-non-3-en-2-ol
CID 11040800
deca-1,5-diene-3,4-diol
CID 130238346
1,1-dichlorohept-2-ene
CID 87443085
(E)-1-tributylstannylhept-2-en-1-ol
CID 14261920
undec-3-en-2-ol
CID 174515693
(E)-3-hydroxynon-4-enoic acid
CID 55277354
(E,3R)-2,2-dimethylheptadec-7-en-3-ol
CID 176767686
(Z)-2-methyloct-3-ene;octane
CID 159051061
(E)-3-methylnon-4-ene
CID 13082837

Frequently Asked Questions

What is the IUPAC name of (Z,3S)-2,2-dimethylnon-4-en-3-ol?
The IUPAC name of (Z,3S)-2,2-dimethylnon-4-en-3-ol (CID 129365171) is (Z,3S)-2,2-dimethylnon-4-en-3-ol.
What is the SMILES notation for (Z,3S)-2,2-dimethylnon-4-en-3-ol?
The canonical SMILES for (Z,3S)-2,2-dimethylnon-4-en-3-ol is CCCC/C=C\[C@H](O)C(C)(C)C.
What is the InChIKey of (Z,3S)-2,2-dimethylnon-4-en-3-ol?
The InChIKey is DXSRWTLSYROVJV-QROTZFDESA-N. The full InChI is InChI=1S/C11H22O/c1-5-6-7-8-9-10(12)11(2,3)4/h8-10,12H,5-7H2,1-4H3/b9-8-/t10-/m0/s1.
What are the key properties of (Z,3S)-2,2-dimethylnon-4-en-3-ol?
(Z,3S)-2,2-dimethylnon-4-en-3-ol has a molecular weight of 170.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-2,2-dimethylnon-4-en-3-ol is sourced from PubChem (CID 129365171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).