(Z)-2-methylhex-3-en-5-yn-2-ol

C7H10O — CID 10701797

IUPAC(Z)-2-methylhex-3-en-5-yn-2-ol
SMILESC#C/C=C\C(C)(C)O
InChIInChI=1S/C7H10O/c1-4-5-6-7(2,3)8/h1,5-6,8H,2-3H3/b6-5-
InChIKeyIMVJKYWETMJAAO-WAYWQWQTSA-N
MW110.16 g/mol
LogP0.95
Rot. Bonds1

About (Z)-2-methylhex-3-en-5-yn-2-ol

(Z)-2-methylhex-3-en-5-yn-2-ol (PubChem CID 10701797) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (Z)-2-methylhex-3-en-5-yn-2-ol.

Molecular Properties

Compound Name(Z)-2-methylhex-3-en-5-yn-2-ol
PubChem CID10701797
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(Z)-2-methylhex-3-en-5-yn-2-ol
SMILESC#C/C=C\C(C)(C)O
InChIInChI=1S/C7H10O/c1-4-5-6-7(2,3)8/h1,5-6,8H,2-3H3/b6-5-
InChIKeyIMVJKYWETMJAAO-WAYWQWQTSA-N
XLogP0.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine
CID 130238736
(Z)-3-tert-butylsulfanyl-2-methylhex-3-en-5-yn-2-ol
CID 12882488
actinium;2-methylbut-3-yn-2-ol
CID 22980385
but-1-en-3-yne;methanol
CID 158856275
but-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol
CID 175422955
2-methyl-4-trimethylstannylbut-3-en-2-ol
CID 71401859
(3E)-2,5-dimethylhexa-3,5-dien-2-ol
CID 12625790
(3Z)-hexa-1,3-dien-5-yne-1,1-diamine
CID 165093546
(3R)-3,4,4-trimethylpent-1-yn-3-ol
CID 6994055
(6S,10S)-2,6,10-trimethyldodeca-3,7,11-triene-2,6,10-triol
CID 163086430
2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol
CID 134106167
(4E)-3,6-dimethylocta-1,4-dien-3-ol
CID 20526736

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylhex-3-en-5-yn-2-ol?
The IUPAC name of (Z)-2-methylhex-3-en-5-yn-2-ol (CID 10701797) is (Z)-2-methylhex-3-en-5-yn-2-ol.
What is the SMILES notation for (Z)-2-methylhex-3-en-5-yn-2-ol?
The canonical SMILES for (Z)-2-methylhex-3-en-5-yn-2-ol is C#C/C=C\C(C)(C)O.
What is the InChIKey of (Z)-2-methylhex-3-en-5-yn-2-ol?
The InChIKey is IMVJKYWETMJAAO-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H10O/c1-4-5-6-7(2,3)8/h1,5-6,8H,2-3H3/b6-5-.
What are the key properties of (Z)-2-methylhex-3-en-5-yn-2-ol?
(Z)-2-methylhex-3-en-5-yn-2-ol has a molecular weight of 110.16 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylhex-3-en-5-yn-2-ol is sourced from PubChem (CID 10701797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).