3,6-dideuteriododec-9-en-4-ol

C12H24O — CID 175813049

IUPAC3,6-dideuteriododec-9-en-4-ol
SMILES[2H]C(CCC=CCC)CC(O)C([2H])CC
InChIInChI=1S/C12H24O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h5-6,12-13H,3-4,7-11H2,1-2H3/i9D,10D
InChIKeyHVYDLJKTLXKSLP-QDRJLNDYSA-N
MW186.34 g/mol
LogP3.67
Rot. Bonds8

About 3,6-dideuteriododec-9-en-4-ol

3,6-dideuteriododec-9-en-4-ol (PubChem CID 175813049) has the molecular formula C12H24O and a molecular weight of 186.34 g/mol. Its IUPAC name is 3,6-dideuteriododec-9-en-4-ol.

Molecular Properties

Compound Name3,6-dideuteriododec-9-en-4-ol
PubChem CID175813049
Molecular FormulaC12H24O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name3,6-dideuteriododec-9-en-4-ol
SMILES[2H]C(CCC=CCC)CC(O)C([2H])CC
InChIInChI=1S/C12H24O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h5-6,12-13H,3-4,7-11H2,1-2H3/i9D,10D
InChIKeyHVYDLJKTLXKSLP-QDRJLNDYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol
CID 121330977
henicosa-6,15-dien-10-ol
CID 141379717
(Z)-non-6-ene-1,1-diol
CID 170555028
(E,2S)-non-6-en-2-ol
CID 12835465
(Z)-non-6-en-2-ol
CID 12835464
(Z)-tetracos-6-en-10-ol
CID 168947717
(E,2R)-dec-7-en-2-ol
CID 89151124
octacos-21-en-10-ol
CID 163011476
(E)-hentetracont-36-en-5-ol
CID 87492179
(E)-undec-8-en-2-ol
CID 118316981
dec-7-ene-2,3-diol
CID 142773808
magnesium;(Z)-non-3-ene;dichloride
CID 174157517

Frequently Asked Questions

What is the IUPAC name of 3,6-dideuteriododec-9-en-4-ol?
The IUPAC name of 3,6-dideuteriododec-9-en-4-ol (CID 175813049) is 3,6-dideuteriododec-9-en-4-ol.
What is the SMILES notation for 3,6-dideuteriododec-9-en-4-ol?
The canonical SMILES for 3,6-dideuteriododec-9-en-4-ol is [2H]C(CCC=CCC)CC(O)C([2H])CC.
What is the InChIKey of 3,6-dideuteriododec-9-en-4-ol?
The InChIKey is HVYDLJKTLXKSLP-QDRJLNDYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h5-6,12-13H,3-4,7-11H2,1-2H3/i9D,10D.
What are the key properties of 3,6-dideuteriododec-9-en-4-ol?
3,6-dideuteriododec-9-en-4-ol has a molecular weight of 186.34 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dideuteriododec-9-en-4-ol is sourced from PubChem (CID 175813049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).