3,7-dimethyl-1-[3-(6-methylhept-5-en-2-ylidene)oxiran-2-yl]octa-2,6-dien-1-ol

C20H32O2 — CID 54382528

IUPAC3,7-dimethyl-1-[3-(6-methylhept-5-en-2-ylidene)oxiran-2-yl]octa-2,6-dien-1-ol
SMILESCC(C)=CCCC(C)=CC(O)C1OC1=C(C)CCC=C(C)C
InChIInChI=1S/C20H32O2/c1-14(2)9-7-11-16(5)13-18(21)20-19(22-20)17(6)12-8-10-15(3)4/h9-10,13,18,20-21H,7-8,11-12H2,1-6H3
InChIKeyVAXVCPUILVOKEB-UHFFFAOYSA-N
MW304.47 g/mol
LogP5.46
Rot. Bonds8

About 3,7-dimethyl-1-[3-(6-methylhept-5-en-2-ylidene)oxiran-2-yl]octa-2,6-dien-1-ol

3,7-dimethyl-1-[3-(6-methylhept-5-en-2-ylidene)oxiran-2-yl]octa-2,6-dien-1-ol (PubChem CID 54382528) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 3,7-dimethyl-1-[3-(6-methylhept-5-en-2-ylidene)oxiran-2-yl]octa-2,6-dien-1-ol.

Molecular Properties

Compound Name3,7-dimethyl-1-[3-(6-methylhept-5-en-2-ylidene)oxiran-2-yl]octa-2,6-dien-1-ol
PubChem CID54382528
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name3,7-dimethyl-1-[3-(6-methylhept-5-en-2-ylidene)oxiran-2-yl]octa-2,6-dien-1-ol
SMILESCC(C)=CCCC(C)=CC(O)C1OC1=C(C)CCC=C(C)C
InChIInChI=1S/C20H32O2/c1-14(2)9-7-11-16(5)13-18(21)20-19(22-20)17(6)12-8-10-15(3)4/h9-10,13,18,20-21H,7-8,11-12H2,1-6H3
InChIKeyVAXVCPUILVOKEB-UHFFFAOYSA-N
XLogP5.46
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-[3-(6-methylhept-5-en-2-ylidene)oxiran-2-yl]octa-2,6-dien-1-ol?
The IUPAC name of 3,7-dimethyl-1-[3-(6-methylhept-5-en-2-ylidene)oxiran-2-yl]octa-2,6-dien-1-ol (CID 54382528) is 3,7-dimethyl-1-[3-(6-methylhept-5-en-2-ylidene)oxiran-2-yl]octa-2,6-dien-1-ol.
What is the SMILES notation for 3,7-dimethyl-1-[3-(6-methylhept-5-en-2-ylidene)oxiran-2-yl]octa-2,6-dien-1-ol?
The canonical SMILES for 3,7-dimethyl-1-[3-(6-methylhept-5-en-2-ylidene)oxiran-2-yl]octa-2,6-dien-1-ol is CC(C)=CCCC(C)=CC(O)C1OC1=C(C)CCC=C(C)C.
What is the InChIKey of 3,7-dimethyl-1-[3-(6-methylhept-5-en-2-ylidene)oxiran-2-yl]octa-2,6-dien-1-ol?
The InChIKey is VAXVCPUILVOKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-14(2)9-7-11-16(5)13-18(21)20-19(22-20)17(6)12-8-10-15(3)4/h9-10,13,18,20-21H,7-8,11-12H2,1-6H3.
What are the key properties of 3,7-dimethyl-1-[3-(6-methylhept-5-en-2-ylidene)oxiran-2-yl]octa-2,6-dien-1-ol?
3,7-dimethyl-1-[3-(6-methylhept-5-en-2-ylidene)oxiran-2-yl]octa-2,6-dien-1-ol has a molecular weight of 304.47 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-[3-(6-methylhept-5-en-2-ylidene)oxiran-2-yl]octa-2,6-dien-1-ol is sourced from PubChem (CID 54382528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).