(5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan

C16H22O2 — CID 163194266

IUPAC(5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan
SMILESCO[C@@H]1/C=C(/C)Cc2occ(C)c2C/C=C(\C)C1
InChIInChI=1S/C16H22O2/c1-11-5-6-15-13(3)10-18-16(15)9-12(2)8-14(7-11)17-4/h5,8,10,14H,6-7,9H2,1-4H3/b11-5+,12-8-/t14-/m0/s1
InChIKeyNWLNPDFDTSFGEU-WDJZFKSXSA-N
MW246.35 g/mol
LogP3.98
Rot. Bonds1

About (5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan

(5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan (PubChem CID 163194266) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan.

Molecular Properties

Compound Name(5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan
PubChem CID163194266
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan
SMILESCO[C@@H]1/C=C(/C)Cc2occ(C)c2C/C=C(\C)C1
InChIInChI=1S/C16H22O2/c1-11-5-6-15-13(3)10-18-16(15)9-12(2)8-14(7-11)17-4/h5,8,10,14H,6-7,9H2,1-4H3/b11-5+,12-8-/t14-/m0/s1
InChIKeyNWLNPDFDTSFGEU-WDJZFKSXSA-N
XLogP3.98
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
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 (5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan?
The IUPAC name of (5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan (CID 163194266) is (5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan.
What is the SMILES notation for (5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan?
The canonical SMILES for (5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan is CO[C@@H]1/C=C(/C)Cc2occ(C)c2C/C=C(\C)C1.
What is the InChIKey of (5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan?
The InChIKey is NWLNPDFDTSFGEU-WDJZFKSXSA-N. The full InChI is InChI=1S/C16H22O2/c1-11-5-6-15-13(3)10-18-16(15)9-12(2)8-14(7-11)17-4/h5,8,10,14H,6-7,9H2,1-4H3/b11-5+,12-8-/t14-/m0/s1.
What are the key properties of (5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan?
(5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan has a molecular weight of 246.35 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan is sourced from PubChem (CID 163194266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).