(4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene

C15H24O — CID 139596542

IUPAC(4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
SMILESCC1=CCC/C(C)=C\CCC2(C)OC2CC1
InChIInChI=1S/C15H24O/c1-12-6-4-7-13(2)9-10-14-15(3,16-14)11-5-8-12/h7-8,14H,4-6,9-11H2,1-3H3/b12-8-,13-7?
InChIKeyPAZWFUGWOAQBJJ-MPFIZWPISA-N
MW220.36 g/mol
LogP4.39
Rot. Bonds

About (4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene

(4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene (PubChem CID 139596542) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene.

Molecular Properties

Compound Name(4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
PubChem CID139596542
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
SMILESCC1=CCC/C(C)=C\CCC2(C)OC2CC1
InChIInChI=1S/C15H24O/c1-12-6-4-7-13(2)9-10-14-15(3,16-14)11-5-8-12/h7-8,14H,4-6,9-11H2,1-3H3/b12-8-,13-7?
InChIKeyPAZWFUGWOAQBJJ-MPFIZWPISA-N
XLogP4.39
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.39
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'}

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Related Compounds

(1R,4Z,8Z,12S)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 93481800
2-(4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl)propan-2-ol
CID 71438233
2-[(4E,10Z)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-7-yl]propan-2-ol
CID 177464486
1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene
CID 73209089
(1R,6S,8S)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-17-one
CID 124928607
(1S,2E,6R,8R,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-17-one
CID 23425416
4,8,13,18-tetramethyl-9,16,19-trioxatetracyclo[13.4.0.01,18.08,10]nonadeca-4,13-dien-17-ol
CID 75954571
methyl 2-[(1R,4E,6E,10E,14R)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-7-yl]propanoate
CID 10544586
(10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl)methanol
CID 75033990
(1S,6S,8R,15R)-3,8,12-trimethyl-16-methylidene-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11-dien-15-ol
CID 162869434
(1R,4R,5E,7R,10E,14R)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-diene-4,7-diol
CID 163112532
(1S,4S,6S,9E,13E,15S)-4,9,13-trimethyl-18-methylidene-5,16-dioxatricyclo[13.3.0.04,6]octadeca-9,13-dien-17-one
CID 15602592

Frequently Asked Questions

What is the IUPAC name of (4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
The IUPAC name of (4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene (CID 139596542) is (4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene.
What is the SMILES notation for (4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
The canonical SMILES for (4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene is CC1=CCC/C(C)=C\CCC2(C)OC2CC1.
What is the InChIKey of (4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
The InChIKey is PAZWFUGWOAQBJJ-MPFIZWPISA-N. The full InChI is InChI=1S/C15H24O/c1-12-6-4-7-13(2)9-10-14-15(3,16-14)11-5-8-12/h7-8,14H,4-6,9-11H2,1-3H3/b12-8-,13-7?.
What are the key properties of (4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene?
(4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene has a molecular weight of 220.36 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene is sourced from PubChem (CID 139596542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).