[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate

C18H30O4 — CID 121257118

IUPAC[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate
SMILESCO[C@H]1/C=C/CCCCCOC/C(C)=C\[C@@H](C)[C@@H]1OC(C)=O
InChIInChI=1S/C18H30O4/c1-14-12-15(2)18(22-16(3)19)17(20-4)10-8-6-5-7-9-11-21-13-14/h8,10,12,15,17-18H,5-7,9,11,13H2,1-4H3/b10-8+,14-12-/t15-,17+,18+/m1/s1
InChIKeyRLOWBCQWIHYMKF-HNCXYEKPSA-N
MW310.43 g/mol
LogP3.66
Rot. Bonds2

About [(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate

[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate (PubChem CID 121257118) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is [(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate.

Molecular Properties

Compound Name[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate
PubChem CID121257118
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate
SMILESCO[C@H]1/C=C/CCCCCOC/C(C)=C\[C@@H](C)[C@@H]1OC(C)=O
InChIInChI=1S/C18H30O4/c1-14-12-15(2)18(22-16(3)19)17(20-4)10-8-6-5-7-9-11-21-13-14/h8,10,12,15,17-18H,5-7,9,11,13H2,1-4H3/b10-8+,14-12-/t15-,17+,18+/m1/s1
InChIKeyRLOWBCQWIHYMKF-HNCXYEKPSA-N
XLogP3.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Cyclohexen-1-ol, 5-methylene-6-(1-methylethenyl)-, acetate, (1S-cis)-
CID 208438
[(1Z,3Z,5R,7E,11E)-5-acetyloxy-7,11-dimethyl-4-propan-2-ylcyclotetradeca-1,3,7,11-tetraen-1-yl]methyl acetate
CID 162955119
[(4R,5R,6E,10S)-5-acetyloxy-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl] acetate
CID 10042769
[(1R,4R,5R)-4-acetyloxy-6-methylidene-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-methylpropanoate
CID 162901013
[(4S,5S,6E,10S)-5-acetyloxy-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl] acetate
CID 163103091
[(3R,6R)-6-butyl-4-methyl-3,6-dihydro-2H-pyran-3-yl] acetate
CID 11974281
ethyl (E,2S,5R)-5-acetyloxy-2-butylhex-3-enoate
CID 102407306
methyl (Z,5R)-5-[(2S,3S,6S)-3-acetyloxy-2-(acetyloxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-3-enoate
CID 16758354
methane;[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate;(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-6-propoxy-1-oxacyclotetradeca-3,8-diene;bis((3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,6,12-tetramethyl-1-oxacyclotetradeca-3,8,12-triene);(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5,6-trimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-triene
CID 160850923
(5-Methylidene-6-prop-1-en-2-ylcyclohex-2-en-1-yl) acetate
CID 53463961
(2Sr,3s,6e)-2,8-di-acetoxy-3,7-dimethyloct-6-ene
CID 10923149
ethyl (2E,4R,6S,7S)-7-acetyloxy-6-(methoxymethoxy)-2,4-dimethylnona-2,8-dienoate
CID 11313440

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-yl] acetate?
The IUPAC name of [(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate (CID 121257118) is [(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate.
What is the SMILES notation for [(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate?
The canonical SMILES for [(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate is CO[C@H]1/C=C/CCCCCOC/C(C)=C\[C@@H](C)[C@@H]1OC(C)=O.
What is the InChIKey of [(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate?
The InChIKey is RLOWBCQWIHYMKF-HNCXYEKPSA-N. The full InChI is InChI=1S/C18H30O4/c1-14-12-15(2)18(22-16(3)19)17(20-4)10-8-6-5-7-9-11-21-13-14/h8,10,12,15,17-18H,5-7,9,11,13H2,1-4H3/b10-8+,14-12-/t15-,17+,18+/m1/s1.
What are the key properties of [(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate?
[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate has a molecular weight of 310.43 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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-yl] acetate is sourced from PubChem (CID 121257118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).