(6E)-4,6-dimethyl-5-propan-2-ylidenenona-6,8-dien-2-ol

C14H24O — CID 91753524

IUPAC(6E)-4,6-dimethyl-5-propan-2-ylidenenona-6,8-dien-2-ol
SMILESC=C/C=C(\C)C(=C(C)C)C(C)CC(C)O
InChIInChI=1S/C14H24O/c1-7-8-11(4)14(10(2)3)12(5)9-13(6)15/h7-8,12-13,15H,1,9H2,2-6H3/b11-8+
InChIKeyJQQLLWCXTJNGDN-DHZHZOJOSA-N
MW208.34 g/mol
LogP3.86
Rot. Bonds5

About (6E)-4,6-dimethyl-5-propan-2-ylidenenona-6,8-dien-2-ol

(6E)-4,6-dimethyl-5-propan-2-ylidenenona-6,8-dien-2-ol (PubChem CID 91753524) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (6E)-4,6-dimethyl-5-propan-2-ylidenenona-6,8-dien-2-ol.

Molecular Properties

Compound Name(6E)-4,6-dimethyl-5-propan-2-ylidenenona-6,8-dien-2-ol
PubChem CID91753524
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(6E)-4,6-dimethyl-5-propan-2-ylidenenona-6,8-dien-2-ol
SMILESC=C/C=C(\C)C(=C(C)C)C(C)CC(C)O
InChIInChI=1S/C14H24O/c1-7-8-11(4)14(10(2)3)12(5)9-13(6)15/h7-8,12-13,15H,1,9H2,2-6H3/b11-8+
InChIKeyJQQLLWCXTJNGDN-DHZHZOJOSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-4,6-dimethyl-5-propan-2-ylidenenona-6,8-dien-2-ol?
The IUPAC name of (6E)-4,6-dimethyl-5-propan-2-ylidenenona-6,8-dien-2-ol (CID 91753524) is (6E)-4,6-dimethyl-5-propan-2-ylidenenona-6,8-dien-2-ol.
What is the SMILES notation for (6E)-4,6-dimethyl-5-propan-2-ylidenenona-6,8-dien-2-ol?
The canonical SMILES for (6E)-4,6-dimethyl-5-propan-2-ylidenenona-6,8-dien-2-ol is C=C/C=C(\C)C(=C(C)C)C(C)CC(C)O.
What is the InChIKey of (6E)-4,6-dimethyl-5-propan-2-ylidenenona-6,8-dien-2-ol?
The InChIKey is JQQLLWCXTJNGDN-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H24O/c1-7-8-11(4)14(10(2)3)12(5)9-13(6)15/h7-8,12-13,15H,1,9H2,2-6H3/b11-8+.
What are the key properties of (6E)-4,6-dimethyl-5-propan-2-ylidenenona-6,8-dien-2-ol?
(6E)-4,6-dimethyl-5-propan-2-ylidenenona-6,8-dien-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-4,6-dimethyl-5-propan-2-ylidenenona-6,8-dien-2-ol is sourced from PubChem (CID 91753524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).