2-methyldec-8-yn-4-ol

C11H20O — CID 104810073

IUPAC2-methyldec-8-yn-4-ol
SMILESCC#CCCCC(O)CC(C)C
InChIInChI=1S/C11H20O/c1-4-5-6-7-8-11(12)9-10(2)3/h10-12H,6-9H2,1-3H3
InChIKeyUBOUQRUPBOPTLY-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.59
Rot. Bonds5

About 2-methyldec-8-yn-4-ol

2-methyldec-8-yn-4-ol (PubChem CID 104810073) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methyldec-8-yn-4-ol.

Molecular Properties

Compound Name2-methyldec-8-yn-4-ol
PubChem CID104810073
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-methyldec-8-yn-4-ol
SMILESCC#CCCCC(O)CC(C)C
InChIInChI=1S/C11H20O/c1-4-5-6-7-8-11(12)9-10(2)3/h10-12H,6-9H2,1-3H3
InChIKeyUBOUQRUPBOPTLY-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-6-methylheptane-1,4-diol
CID 88522325
(4S)-2-methylnonan-4-ol
CID 86308805
17-methyloctadec-2-yne
CID 123546762
2-methoxynon-7-yn-4-ol
CID 104804259
7-methylnon-2-yne
CID 54177152
2-methyloct-6-ynoic acid
CID 104813708
1-(but-2-ynylamino)-4-methylpentan-2-ol
CID 107152460
3-methyloct-6-yn-2-ol
CID 104810026
2,13-dimethylpentadecan-4-ol
CID 176880167
methyl 2-methyloct-6-ynoate
CID 102118297
1-trimethylsilylnona-1,7-diyn-3-ol
CID 121009157
undeca-2,9-diyne
CID 13351096

Frequently Asked Questions

What is the IUPAC name of 2-methyldec-8-yn-4-ol?
The IUPAC name of 2-methyldec-8-yn-4-ol (CID 104810073) is 2-methyldec-8-yn-4-ol.
What is the SMILES notation for 2-methyldec-8-yn-4-ol?
The canonical SMILES for 2-methyldec-8-yn-4-ol is CC#CCCCC(O)CC(C)C.
What is the InChIKey of 2-methyldec-8-yn-4-ol?
The InChIKey is UBOUQRUPBOPTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-7-8-11(12)9-10(2)3/h10-12H,6-9H2,1-3H3.
What are the key properties of 2-methyldec-8-yn-4-ol?
2-methyldec-8-yn-4-ol has a molecular weight of 168.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldec-8-yn-4-ol is sourced from PubChem (CID 104810073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).