(Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol

C8H12O2 — CID 134890162

IUPAC(Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol
SMILESCOCC#C/C(C)=C\CO
InChIInChI=1S/C8H12O2/c1-8(5-6-9)4-3-7-10-2/h5,9H,6-7H2,1-2H3/b8-5-
InChIKeyMDDLAHMRLWVXJR-YVMONPNESA-N
MW140.18 g/mol
LogP0.57
Rot. Bonds2

About (Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol

(Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol (PubChem CID 134890162) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol.

Molecular Properties

Compound Name(Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol
PubChem CID134890162
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol
SMILESCOCC#C/C(C)=C\CO
InChIInChI=1S/C8H12O2/c1-8(5-6-9)4-3-7-10-2/h5,9H,6-7H2,1-2H3/b8-5-
InChIKeyMDDLAHMRLWVXJR-YVMONPNESA-N
XLogP0.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Pentol
CID 6435822
1-Pentol, (E)-
CID 5367604
trans-Lachnophyllol
CID 5318913
2-Penten-4-yn-1-ol, 3-methyl-
CID 61013
Dec-2-en-4,6-diyn-1-ol
CID 185531
(Z)-3-methylnon-2-en-4-yn-1-ol
CID 10749380
(2Z)-3,7-dimethylocta-2,6-dien-4-yn-1-ol
CID 10898868
(E)-6-methoxyhex-2-en-4-yn-1-ol
CID 12608749
3,8-Dimethyldeca-2,8-diene-4,6-diyne-1,10-diol
CID 129786981
(Z)-2-methylhex-2-en-4-yn-1-ol
CID 133672767
(Z)-6-methoxy-3-methylhept-2-en-4-yn-1-ol
CID 134890168
(E)-oct-2-en-4-yn-1-ol
CID 5907859

Frequently Asked Questions

What is the IUPAC name of (Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol?
The IUPAC name of (Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol (CID 134890162) is (Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol.
What is the SMILES notation for (Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol?
The canonical SMILES for (Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol is COCC#C/C(C)=C\CO.
What is the InChIKey of (Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol?
The InChIKey is MDDLAHMRLWVXJR-YVMONPNESA-N. The full InChI is InChI=1S/C8H12O2/c1-8(5-6-9)4-3-7-10-2/h5,9H,6-7H2,1-2H3/b8-5-.
What are the key properties of (Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol?
(Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol has a molecular weight of 140.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methoxy-3-methylhex-2-en-4-yn-1-ol is sourced from PubChem (CID 134890162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).