(E)-6-methylhept-4-en-1-yn-3-ol

C8H12O — CID 130123461

IUPAC(E)-6-methylhept-4-en-1-yn-3-ol
SMILESC#CC(O)/C=C/C(C)C
InChIInChI=1S/C8H12O/c1-4-8(9)6-5-7(2)3/h1,5-9H,2-3H3/b6-5+
InChIKeyVGJYAEOYNKALTA-AATRIKPKSA-N
MW124.18 g/mol
LogP1.19
Rot. Bonds2

About (E)-6-methylhept-4-en-1-yn-3-ol

(E)-6-methylhept-4-en-1-yn-3-ol (PubChem CID 130123461) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (E)-6-methylhept-4-en-1-yn-3-ol.

Molecular Properties

Compound Name(E)-6-methylhept-4-en-1-yn-3-ol
PubChem CID130123461
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(E)-6-methylhept-4-en-1-yn-3-ol
SMILESC#CC(O)/C=C/C(C)C
InChIInChI=1S/C8H12O/c1-4-8(9)6-5-7(2)3/h1,5-9H,2-3H3/b6-5+
InChIKeyVGJYAEOYNKALTA-AATRIKPKSA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-methylhex-3-en-2-ol
CID 11251985
(Z,2R)-5-methylhex-3-en-2-ol
CID 89011913
19-methylicos-4-en-1-yn-3-ol
CID 1660
(3R,4E,26E,28R)-triaconta-4,15,26-trien-1,29-diyne-3,28-diol
CID 162943596
(3R,4E,11E,17E,28E,30R)-dotriaconta-4,11,17,28-tetraen-1,31-diyne-3,30-diol
CID 53262797
(3S,4Z,15E,26E,28S)-triaconta-4,15,26-trien-1,29-diyne-3,28-diol
CID 162943598
(E,3S)-henicos-4-en-1-yn-3-ol
CID 5469782
(E,4S)-1,1-diethoxy-7-methyloct-5-en-2-yn-4-ol
CID 101388649
7,7,7-trifluorohept-4-en-1-yn-3-ol
CID 139673727
(3S,4E)-docosa-4,15-dien-1-yn-3-ol
CID 163029238
icosa-4,13-dien-1-yn-3-ol
CID 163112599
tricosa-4,16-dien-1-yn-3-ol
CID 163109025

Frequently Asked Questions

What is the IUPAC name of (E)-6-methylhept-4-en-1-yn-3-ol?
The IUPAC name of (E)-6-methylhept-4-en-1-yn-3-ol (CID 130123461) is (E)-6-methylhept-4-en-1-yn-3-ol.
What is the SMILES notation for (E)-6-methylhept-4-en-1-yn-3-ol?
The canonical SMILES for (E)-6-methylhept-4-en-1-yn-3-ol is C#CC(O)/C=C/C(C)C.
What is the InChIKey of (E)-6-methylhept-4-en-1-yn-3-ol?
The InChIKey is VGJYAEOYNKALTA-AATRIKPKSA-N. The full InChI is InChI=1S/C8H12O/c1-4-8(9)6-5-7(2)3/h1,5-9H,2-3H3/b6-5+.
What are the key properties of (E)-6-methylhept-4-en-1-yn-3-ol?
(E)-6-methylhept-4-en-1-yn-3-ol has a molecular weight of 124.18 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methylhept-4-en-1-yn-3-ol is sourced from PubChem (CID 130123461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).