(2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane

C13H20O — CID 143166519

IUPAC(2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane
SMILESC=C/C=C1/OCC(C)CC/C1=C/CC
InChIInChI=1S/C13H20O/c1-4-6-12-9-8-11(3)10-14-13(12)7-5-2/h5-7,11H,2,4,8-10H2,1,3H3/b12-6-,13-7+
InChIKeyUZOUPTMRCUHOES-VOFKWTQNSA-N
MW192.30 g/mol
LogP3.84
Rot. Bonds2

About (2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane

(2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane (PubChem CID 143166519) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane.

Molecular Properties

Compound Name(2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane
PubChem CID143166519
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane
SMILESC=C/C=C1/OCC(C)CC/C1=C/CC
InChIInChI=1S/C13H20O/c1-4-6-12-9-8-11(3)10-14-13(12)7-5-2/h5-7,11H,2,4,8-10H2,1,3H3/b12-6-,13-7+
InChIKeyUZOUPTMRCUHOES-VOFKWTQNSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-dioxolane
CID 89377812
(1Z,2Z)-1-prop-2-enylidene-2-propylidenecyclohexane
CID 143194645
ethane;(3E,4Z)-4-prop-2-enylidene-3-propylideneoxane
CID 143806870
(2E,3Z)-2-ethylidene-3-propylideneoxolane
CID 142121655
3-ethylidene-2-prop-2-enylideneoxolane
CID 91481308
(3Z)-1-methyl-3-propylidenecyclopentane
CID 144536317
(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)-1,3-dioxolane
CID 143523658
6-methyl-3-methylideneoxepan-2-one
CID 59460121
(3E,5S)-5-[(1E)-buta-1,3-dienyl]-3-propylideneoxolan-2-one
CID 162970750
bis(but-2-ene);1-methyl-3-propylidenecyclopentane
CID 173439667
(3E)-3-propylideneoxan-2-one
CID 13398830
7-propylidenebicyclo[4.1.0]heptane
CID 556456

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane?
The IUPAC name of (2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane (CID 143166519) is (2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane.
What is the SMILES notation for (2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane?
The canonical SMILES for (2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane is C=C/C=C1/OCC(C)CC/C1=C/CC.
What is the InChIKey of (2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane?
The InChIKey is UZOUPTMRCUHOES-VOFKWTQNSA-N. The full InChI is InChI=1S/C13H20O/c1-4-6-12-9-8-11(3)10-14-13(12)7-5-2/h5-7,11H,2,4,8-10H2,1,3H3/b12-6-,13-7+.
What are the key properties of (2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane?
(2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane has a molecular weight of 192.30 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane is sourced from PubChem (CID 143166519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).