5-methylundec-1-en-5-ol

C12H24O — CID 12888305

IUPAC5-methylundec-1-en-5-ol
SMILESC=CCCC(C)(O)CCCCCC
InChIInChI=1S/C12H24O/c1-4-6-8-9-11-12(3,13)10-7-5-2/h5,13H,2,4,6-11H2,1,3H3
InChIKeyCSELWXPBTLBUJL-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.67
Rot. Bonds8

About 5-methylundec-1-en-5-ol

5-methylundec-1-en-5-ol (PubChem CID 12888305) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 5-methylundec-1-en-5-ol.

Molecular Properties

Compound Name5-methylundec-1-en-5-ol
PubChem CID12888305
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name5-methylundec-1-en-5-ol
SMILESC=CCCC(C)(O)CCCCCC
InChIInChI=1S/C12H24O/c1-4-6-8-9-11-12(3,13)10-7-5-2/h5,13H,2,4,6-11H2,1,3H3
InChIKeyCSELWXPBTLBUJL-UHFFFAOYSA-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 ≤ 500184.32
LogP ≤ 53.67
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

Dihydromyrcenol
CID 29096
Isophytol
CID 10453
Myrcenol
CID 10975
3-Methyloct-1-en-3-ol
CID 32207
1-Allyl-1-cyclohexanol
CID 79145
6-Hepten-2-ol, 2,6-dimethyl-
CID 520592
3,7-Dimethylocten-2-ol
CID 162479
3,7,11-Trimethyldodec-1-en-3-ol
CID 528824
1-Vinylcyclooctanol
CID 3531511
1-Nonen-3-ol, 3-methyl-
CID 90811
7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv.
CID 87671
alpha-Linalool
CID 69016

Frequently Asked Questions

What is the IUPAC name of 5-methylundec-1-en-5-ol?
The IUPAC name of 5-methylundec-1-en-5-ol (CID 12888305) is 5-methylundec-1-en-5-ol.
What is the SMILES notation for 5-methylundec-1-en-5-ol?
The canonical SMILES for 5-methylundec-1-en-5-ol is C=CCCC(C)(O)CCCCCC.
What is the InChIKey of 5-methylundec-1-en-5-ol?
The InChIKey is CSELWXPBTLBUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-6-8-9-11-12(3,13)10-7-5-2/h5,13H,2,4,6-11H2,1,3H3.
What are the key properties of 5-methylundec-1-en-5-ol?
5-methylundec-1-en-5-ol has a molecular weight of 184.32 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 5-methylundec-1-en-5-ol is sourced from PubChem (CID 12888305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).