(7E)-10-(2-methoxy-3-propan-2-ylphenyl)-7-methyldeca-1,7-dien-3-ol

C21H32O2 — CID 138978789

IUPAC(7E)-10-(2-methoxy-3-propan-2-ylphenyl)-7-methyldeca-1,7-dien-3-ol
SMILESC=CC(O)CCC/C(C)=C/CCc1cccc(C(C)C)c1OC
InChIInChI=1S/C21H32O2/c1-6-19(22)14-8-11-17(4)10-7-12-18-13-9-15-20(16(2)3)21(18)23-5/h6,9-10,13,15-16,19,22H,1,7-8,11-12,14H2,2-5H3/b17-10+
InChIKeyIHRJSFFULBRBHB-LICLKQGHSA-N
MW316.49 g/mol
LogP5.41
Rot. Bonds10

About (7E)-10-(2-methoxy-3-propan-2-ylphenyl)-7-methyldeca-1,7-dien-3-ol

(7E)-10-(2-methoxy-3-propan-2-ylphenyl)-7-methyldeca-1,7-dien-3-ol (PubChem CID 138978789) has the molecular formula C21H32O2 and a molecular weight of 316.49 g/mol. Its IUPAC name is (7E)-10-(2-methoxy-3-propan-2-ylphenyl)-7-methyldeca-1,7-dien-3-ol.

Molecular Properties

Compound Name(7E)-10-(2-methoxy-3-propan-2-ylphenyl)-7-methyldeca-1,7-dien-3-ol
PubChem CID138978789
Molecular FormulaC21H32O2
Molecular Weight316.49 g/mol
Exact Mass316.24
IUPAC Name(7E)-10-(2-methoxy-3-propan-2-ylphenyl)-7-methyldeca-1,7-dien-3-ol
SMILESC=CC(O)CCC/C(C)=C/CCc1cccc(C(C)C)c1OC
InChIInChI=1S/C21H32O2/c1-6-19(22)14-8-11-17(4)10-7-12-18-13-9-15-20(16(2)3)21(18)23-5/h6,9-10,13,15-16,19,22H,1,7-8,11-12,14H2,2-5H3/b17-10+
InChIKeyIHRJSFFULBRBHB-LICLKQGHSA-N
XLogP5.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E)-10-(2-methoxy-3-propan-2-ylphenyl)-7-methyldeca-1,7-dien-3-ol?
The IUPAC name of (7E)-10-(2-methoxy-3-propan-2-ylphenyl)-7-methyldeca-1,7-dien-3-ol (CID 138978789) is (7E)-10-(2-methoxy-3-propan-2-ylphenyl)-7-methyldeca-1,7-dien-3-ol.
What is the SMILES notation for (7E)-10-(2-methoxy-3-propan-2-ylphenyl)-7-methyldeca-1,7-dien-3-ol?
The canonical SMILES for (7E)-10-(2-methoxy-3-propan-2-ylphenyl)-7-methyldeca-1,7-dien-3-ol is C=CC(O)CCC/C(C)=C/CCc1cccc(C(C)C)c1OC.
What is the InChIKey of (7E)-10-(2-methoxy-3-propan-2-ylphenyl)-7-methyldeca-1,7-dien-3-ol?
The InChIKey is IHRJSFFULBRBHB-LICLKQGHSA-N. The full InChI is InChI=1S/C21H32O2/c1-6-19(22)14-8-11-17(4)10-7-12-18-13-9-15-20(16(2)3)21(18)23-5/h6,9-10,13,15-16,19,22H,1,7-8,11-12,14H2,2-5H3/b17-10+.
What are the key properties of (7E)-10-(2-methoxy-3-propan-2-ylphenyl)-7-methyldeca-1,7-dien-3-ol?
(7E)-10-(2-methoxy-3-propan-2-ylphenyl)-7-methyldeca-1,7-dien-3-ol has a molecular weight of 316.49 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-10-(2-methoxy-3-propan-2-ylphenyl)-7-methyldeca-1,7-dien-3-ol is sourced from PubChem (CID 138978789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).