2-ethynyl-2-methylhept-6-yn-1-ol

C10H14O — CID 130130546

IUPAC2-ethynyl-2-methylhept-6-yn-1-ol
SMILESC#CCCCC(C)(C#C)CO
InChIInChI=1S/C10H14O/c1-4-6-7-8-10(3,5-2)9-11/h1-2,11H,6-9H2,3H3
InChIKeyIWCCMBLWRZHDFD-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.42
Rot. Bonds4

About 2-ethynyl-2-methylhept-6-yn-1-ol

2-ethynyl-2-methylhept-6-yn-1-ol (PubChem CID 130130546) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-ethynyl-2-methylhept-6-yn-1-ol.

Molecular Properties

Compound Name2-ethynyl-2-methylhept-6-yn-1-ol
PubChem CID130130546
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-ethynyl-2-methylhept-6-yn-1-ol
SMILESC#CCCCC(C)(C#C)CO
InChIInChI=1S/C10H14O/c1-4-6-7-8-10(3,5-2)9-11/h1-2,11H,6-9H2,3H3
InChIKeyIWCCMBLWRZHDFD-UHFFFAOYSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.42
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

2,2-Dimethyl-1-hexanol
CID 16912
2,2-Dimethylhex-5-yn-1-ol
CID 54751861
(1-(Prop-2-yn-1-yl)cyclobutyl)methanol
CID 71757256
[1-(Prop-2-yn-1-yl)cyclopentyl]methanol
CID 56833399
3-Butylbut-1-yne-1,4-diol
CID 167442167
4,4-Dimethylhex-5-yn-1-ol
CID 10582789
(4R)-4-methylhept-6-yn-1-ol
CID 14793501
2-Butyl-2-prop-2-ynylpropane-1,3-diol
CID 86063438
2-Methylhept-6-yn-1-ol
CID 64666715
(2S)-2-methyloct-6-yn-1-ol
CID 130123272
2-Ethynylhexan-1-ol
CID 12491611
4,4-Dimethyl-1-octyn-3-ol
CID 14516369

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-2-methylhept-6-yn-1-ol?
The IUPAC name of 2-ethynyl-2-methylhept-6-yn-1-ol (CID 130130546) is 2-ethynyl-2-methylhept-6-yn-1-ol.
What is the SMILES notation for 2-ethynyl-2-methylhept-6-yn-1-ol?
The canonical SMILES for 2-ethynyl-2-methylhept-6-yn-1-ol is C#CCCCC(C)(C#C)CO.
What is the InChIKey of 2-ethynyl-2-methylhept-6-yn-1-ol?
The InChIKey is IWCCMBLWRZHDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-4-6-7-8-10(3,5-2)9-11/h1-2,11H,6-9H2,3H3.
What are the key properties of 2-ethynyl-2-methylhept-6-yn-1-ol?
2-ethynyl-2-methylhept-6-yn-1-ol has a molecular weight of 150.22 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-2-methylhept-6-yn-1-ol is sourced from PubChem (CID 130130546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).