(E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol

C10H20O — CID 134903027

IUPAC(E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol
SMILES[2H]CCC(C[2H])CCC/C=C/CO
InChIInChI=1S/C10H20O/c1-3-10(2)8-6-4-5-7-9-11/h5,7,10-11H,3-4,6,8-9H2,1-2H3/b7-5+/i1D,2D
InChIKeyJKXNQOIRSRDLAM-VUZFBQLASA-N
MW158.28 g/mol
LogP2.75
Rot. Bonds8

About (E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol

(E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol (PubChem CID 134903027) has the molecular formula C10H20O and a molecular weight of 158.28 g/mol. Its IUPAC name is (E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol.

Molecular Properties

Compound Name(E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol
PubChem CID134903027
Molecular FormulaC10H20O
Molecular Weight158.28 g/mol
Exact Mass158.16
IUPAC Name(E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol
SMILES[2H]CCC(C[2H])CCC/C=C/CO
InChIInChI=1S/C10H20O/c1-3-10(2)8-6-4-5-7-9-11/h5,7,10-11H,3-4,6,8-9H2,1-2H3/b7-5+/i1D,2D
InChIKeyJKXNQOIRSRDLAM-VUZFBQLASA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.75
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

Phytol
CID 5280435
2-Octen-1-ol, (2E)-
CID 5318599
alpha-IONOL
CID 5363817
2-Nonen-1-ol, (2E)-
CID 5364941
2-Undecen-1-ol, (2E)-
CID 5365004
2-Decenol, (2E)-
CID 5364942
2-Nonen-1-ol, (2Z)-
CID 5365027
Oct-2-en-1-ol
CID 29060
3,7,11,15-Tetramethyl-2-hexadecen-1-OL
CID 5366244
2-Decen-1-ol
CID 87630
2-Octen-1-ol, (2Z)-
CID 5364959
2-Tridecen-1-ol, (2E)-
CID 5364949

Frequently Asked Questions

What is the IUPAC name of (E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol?
The IUPAC name of (E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol (CID 134903027) is (E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol.
What is the SMILES notation for (E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol?
The canonical SMILES for (E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol is [2H]CCC(C[2H])CCC/C=C/CO.
What is the InChIKey of (E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol?
The InChIKey is JKXNQOIRSRDLAM-VUZFBQLASA-N. The full InChI is InChI=1S/C10H20O/c1-3-10(2)8-6-4-5-7-9-11/h5,7,10-11H,3-4,6,8-9H2,1-2H3/b7-5+/i1D,2D.
What are the key properties of (E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol?
(E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol has a molecular weight of 158.28 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-deuterio-7-(deuteriomethyl)non-2-en-1-ol is sourced from PubChem (CID 134903027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).