(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol

C16H28O3 — CID 11708792

IUPAC(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol
SMILESCO[C@H]1/C=C/CCCCCOC/C(C)=C\[C@@H](C)[C@@H]1O
InChIInChI=1S/C16H28O3/c1-13-11-14(2)16(17)15(18-3)9-7-5-4-6-8-10-19-12-13/h7,9,11,14-17H,4-6,8,10,12H2,1-3H3/b9-7+,13-11-/t14-,15+,16+/m1/s1
InChIKeyRNYNKRGACHEEMN-BXRWGAHISA-N
MW268.40 g/mol
LogP3.09
Rot. Bonds1

About (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol

(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol (PubChem CID 11708792) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol.

Molecular Properties

Compound Name(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol
PubChem CID11708792
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol
SMILESCO[C@H]1/C=C/CCCCCOC/C(C)=C\[C@@H](C)[C@@H]1O
InChIInChI=1S/C16H28O3/c1-13-11-14(2)16(17)15(18-3)9-7-5-4-6-8-10-19-12-13/h7,9,11,14-17H,4-6,8,10,12H2,1-3H3/b9-7+,13-11-/t14-,15+,16+/m1/s1
InChIKeyRNYNKRGACHEEMN-BXRWGAHISA-N
XLogP3.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol?
The IUPAC name of (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol (CID 11708792) is (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol.
What is the SMILES notation for (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol?
The canonical SMILES for (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol is CO[C@H]1/C=C/CCCCCOC/C(C)=C\[C@@H](C)[C@@H]1O.
What is the InChIKey of (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol?
The InChIKey is RNYNKRGACHEEMN-BXRWGAHISA-N. The full InChI is InChI=1S/C16H28O3/c1-13-11-14(2)16(17)15(18-3)9-7-5-4-6-8-10-19-12-13/h7,9,11,14-17H,4-6,8,10,12H2,1-3H3/b9-7+,13-11-/t14-,15+,16+/m1/s1.
What are the key properties of (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol?
(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol has a molecular weight of 268.40 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol is sourced from PubChem (CID 11708792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).