(Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol

C13H20O — CID 130380658

IUPAC(Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol
SMILESC#C/C=C(\C=C/C)CC(O)CC(C)C
InChIInChI=1S/C13H20O/c1-5-7-12(8-6-2)10-13(14)9-11(3)4/h1,6-8,11,13-14H,9-10H2,2-4H3/b8-6-,12-7+
InChIKeyGRDRZYJFXYWLQP-LQNKLOEDSA-N
MW192.30 g/mol
LogP2.92
Rot. Bonds5

About (Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol

(Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol (PubChem CID 130380658) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol.

Molecular Properties

Compound Name(Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol
PubChem CID130380658
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol
SMILESC#C/C=C(\C=C/C)CC(O)CC(C)C
InChIInChI=1S/C13H20O/c1-5-7-12(8-6-2)10-13(14)9-11(3)4/h1,6-8,11,13-14H,9-10H2,2-4H3/b8-6-,12-7+
InChIKeyGRDRZYJFXYWLQP-LQNKLOEDSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol?
The IUPAC name of (Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol (CID 130380658) is (Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol.
What is the SMILES notation for (Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol?
The canonical SMILES for (Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol is C#C/C=C(\C=C/C)CC(O)CC(C)C.
What is the InChIKey of (Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol?
The InChIKey is GRDRZYJFXYWLQP-LQNKLOEDSA-N. The full InChI is InChI=1S/C13H20O/c1-5-7-12(8-6-2)10-13(14)9-11(3)4/h1,6-8,11,13-14H,9-10H2,2-4H3/b8-6-,12-7+.
What are the key properties of (Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol?
(Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol has a molecular weight of 192.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-6-[(Z)-prop-1-enyl]non-6-en-8-yn-4-ol is sourced from PubChem (CID 130380658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).