(2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane

C13H20O — CID 143751467

IUPAC(2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane
SMILESC=C/C=C1/CCC(O)/C1=C/C=C.CC
InChIInChI=1S/C11H14O.C2H6/c1-3-5-9-7-8-11(12)10(9)6-4-2;1-2/h3-6,11-12H,1-2,7-8H2;1-2H3/b9-5-,10-6+;
InChIKeyNNKFQJOESZTKGD-KSTRYXAPSA-N
MW192.30 g/mol
LogP3.39
Rot. Bonds2

About (2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane

(2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane (PubChem CID 143751467) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane.

Molecular Properties

Compound Name(2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane
PubChem CID143751467
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane
SMILESC=C/C=C1/CCC(O)/C1=C/C=C.CC
InChIInChI=1S/C11H14O.C2H6/c1-3-5-9-7-8-11(12)10(9)6-4-2;1-2/h3-6,11-12H,1-2,7-8H2;1-2H3/b9-5-,10-6+;
InChIKeyNNKFQJOESZTKGD-KSTRYXAPSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Dimethylocta-1,5,7-trien-3-ol
CID 5362854
Ipsdienol
CID 92301
2-Methyl-6-methylene-2,7-octadien-4-ol
CID 85734
(4R)-2-methyl-6-methylideneocta-2,7-dien-4-ol
CID 181296
Aspinotriol B
CID 24763080
2,6-Dimethyl-1,5,7-octatrien-3-ol
CID 119847
6,10-Dimethylundeca-1,5,9-trien-4-ol
CID 5365897
(2E,6E,9xi)-Farnesol
CID 101648403
Aspinotriol A
CID 24763079
Guatterin A
CID 643652
EINECS 249-293-9, AI3-20002, CID5365897, 6,10-Dimethylundeca-1,5,9-trien-4-ol, 1,5,9-Undecatrien-4-ol, 6,10-dimethyl-, 2,6,10-Undecatrien-8-ol, 2,6-dimethyl-, 28897-20-3
CID 120085
(E)-7-Methyl-3-methyleneocta-4,6-dien-2-ol
CID 6436559

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane?
The IUPAC name of (2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane (CID 143751467) is (2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane.
What is the SMILES notation for (2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane?
The canonical SMILES for (2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane is C=C/C=C1/CCC(O)/C1=C/C=C.CC.
What is the InChIKey of (2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane?
The InChIKey is NNKFQJOESZTKGD-KSTRYXAPSA-N. The full InChI is InChI=1S/C11H14O.C2H6/c1-3-5-9-7-8-11(12)10(9)6-4-2;1-2/h3-6,11-12H,1-2,7-8H2;1-2H3/b9-5-,10-6+;.
What are the key properties of (2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane?
(2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane has a molecular weight of 192.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2,3-bis(prop-2-enylidene)cyclopentan-1-ol;ethane is sourced from PubChem (CID 143751467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).