(1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene

C20H32O — CID 132938173

IUPAC(1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene
SMILESC/C1=C\CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(/C(C)C)CC1
InChIInChI=1S/C20H32O/c1-15(2)18-11-8-16(3)7-6-14-20(5)19(21-20)13-10-17(4)9-12-18/h7,9,12,15,19H,6,8,10-11,13-14H2,1-5H3/b16-7+,17-9+,18-12+/t19-,20-/m0/s1
InChIKeyUIFUEZJMOQTFLI-AJYRKPNUSA-N
MW288.48 g/mol
LogP5.97
Rot. Bonds1

About (1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene

(1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene (PubChem CID 132938173) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene.

Molecular Properties

Compound Name(1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene
PubChem CID132938173
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene
SMILESC/C1=C\CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(/C(C)C)CC1
InChIInChI=1S/C20H32O/c1-15(2)18-11-8-16(3)7-6-14-20(5)19(21-20)13-10-17(4)9-12-18/h7,9,12,15,19H,6,8,10-11,13-14H2,1-5H3/b16-7+,17-9+,18-12+/t19-,20-/m0/s1
InChIKeyUIFUEZJMOQTFLI-AJYRKPNUSA-N
XLogP5.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene 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

(S)-2,3-Epoxysqualene
CID 5459811
13-Oxabicyclo(10.1.0)trideca-4,8-diene, 1,5,9-trimethyl-
CID 6436727
delta-Carotene-1,2-epoxide
CID 131752096
13-Oxabicyclo[10.1.0]trideca-4,8-diene, 1,4,8-trimethyl-
CID 122515
(3S,22S)-2,3:22,23-diepoxy-2,3,22,23-tetrahydrosqualene
CID 92449689
(S)-1',2'-Epoxy-1',2'-dihydro-b,y-carotene
CID 87442367
zeta-Carotene epoxide
CID 131751261
2,3-Oxidosqualene
CID 5366020
1,5-Cyclododecadiene, 9-methoxy-1,6,10-trimethyl-
CID 102054965
1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene
CID 131750918
Phytoene 1,2-epoxide
CID 131752073
1,2-Epoxy-1,2-dihydrolycopene
CID 131751672

Frequently Asked Questions

What is the IUPAC name of (1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene?
The IUPAC name of (1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene (CID 132938173) is (1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene.
What is the SMILES notation for (1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene?
The canonical SMILES for (1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene is C/C1=C\CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(/C(C)C)CC1.
What is the InChIKey of (1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene?
The InChIKey is UIFUEZJMOQTFLI-AJYRKPNUSA-N. The full InChI is InChI=1S/C20H32O/c1-15(2)18-11-8-16(3)7-6-14-20(5)19(21-20)13-10-17(4)9-12-18/h7,9,12,15,19H,6,8,10-11,13-14H2,1-5H3/b16-7+,17-9+,18-12+/t19-,20-/m0/s1.
What are the key properties of (1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene?
(1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene has a molecular weight of 288.48 g/mol, XLogP of 5.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4E,6E,10E,14S)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-triene is sourced from PubChem (CID 132938173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).