ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol

C13H24O2 — CID 143106531

IUPACethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol
SMILESC/C=C1/C=CCO/C1=C/CC.CC.CO
InChIInChI=1S/C10H14O.C2H6.CH4O/c1-3-6-10-9(4-2)7-5-8-11-10;2*1-2/h4-7H,3,8H2,1-2H3;1-2H3;2H,1H3/b9-4-,10-6+;;
InChIKeyWMNANRQMNNKLJZ-IUMVZCIESA-N
MW212.33 g/mol
LogP3.45
Rot. Bonds1

About ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol

ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol (PubChem CID 143106531) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol.

Molecular Properties

Compound Nameethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol
PubChem CID143106531
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Nameethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol
SMILESC/C=C1/C=CCO/C1=C/CC.CC.CO
InChIInChI=1S/C10H14O.C2H6.CH4O/c1-3-6-10-9(4-2)7-5-8-11-10;2*1-2/h4-7H,3,8H2,1-2H3;1-2H3;2H,1H3/b9-4-,10-6+;;
InChIKeyWMNANRQMNNKLJZ-IUMVZCIESA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4E,5E)-4-ethylidene-5-propylidene-1,3-dioxolane
CID 88980689
(21Z,23E)-23-propylidene-12,19-dioxaoctacyclo[28.6.6.28,11.02,7.013,18.024,29.031,36.037,42]tetratetraconta-1(37),2,4,6,8(44),9,11(43),13,15,17,21,24,26,28,30(42),31,33,35,38,40-icosaene
CID 143290750
2-propylidene-1,3-dioxole
CID 141300846
(2E,3Z)-2-ethylidene-3-propylideneoxolane
CID 142121655
(2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran
CID 155095674
(4E,5E)-4-[(Z)-pent-3-en-2-ylidene]-5-propylidene-1,3-dioxolane
CID 144916469
(3Z,4Z)-3-ethylidene-4-propylidenecyclohexa-1,5-dien-1-ol;methanol
CID 142068295
(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-dioxolane
CID 89377812
5-ethoxy-6-methyl-2H-pyran
CID 154452264
(3Z,4Z)-3,4-di(ethylidene)cyclopentene;ethane;prop-1-yne
CID 144982541
2H-chromene;propane
CID 160650237
ethane;(5Z,6E)-5-ethylidene-6-[(Z)-2-methylbut-2-enylidene]-1,2-dihydropyridine
CID 143576031

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol?
The IUPAC name of ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol (CID 143106531) is ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol.
What is the SMILES notation for ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol?
The canonical SMILES for ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol is C/C=C1/C=CCO/C1=C/CC.CC.CO.
What is the InChIKey of ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol?
The InChIKey is WMNANRQMNNKLJZ-IUMVZCIESA-N. The full InChI is InChI=1S/C10H14O.C2H6.CH4O/c1-3-6-10-9(4-2)7-5-8-11-10;2*1-2/h4-7H,3,8H2,1-2H3;1-2H3;2H,1H3/b9-4-,10-6+;;.
What are the key properties of ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol?
ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol has a molecular weight of 212.33 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6E)-5-ethylidene-6-propylidene-2H-pyran;methanol is sourced from PubChem (CID 143106531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).