(3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol

C11H14O — CID 144565996

IUPAC(3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol
SMILESC=C(O)/C=C1/CC2CC2/C1=C/C
InChIInChI=1S/C11H14O/c1-3-10-8(4-7(2)12)5-9-6-11(9)10/h3-4,9,11-12H,2,5-6H2,1H3/b8-4-,10-3+
InChIKeySTPZBOJJPTXHHP-RYLCBPLJSA-N
MW162.23 g/mol
LogP2.97
Rot. Bonds1

About (3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol

(3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol (PubChem CID 144565996) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol.

Molecular Properties

Compound Name(3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol
PubChem CID144565996
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol
SMILESC=C(O)/C=C1/CC2CC2/C1=C/C
InChIInChI=1S/C11H14O/c1-3-10-8(4-7(2)12)5-9-6-11(9)10/h3-4,9,11-12H,2,5-6H2,1H3/b8-4-,10-3+
InChIKeySTPZBOJJPTXHHP-RYLCBPLJSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol?
The IUPAC name of (3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol (CID 144565996) is (3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol.
What is the SMILES notation for (3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol?
The canonical SMILES for (3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol is C=C(O)/C=C1/CC2CC2/C1=C/C.
What is the InChIKey of (3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol?
The InChIKey is STPZBOJJPTXHHP-RYLCBPLJSA-N. The full InChI is InChI=1S/C11H14O/c1-3-10-8(4-7(2)12)5-9-6-11(9)10/h3-4,9,11-12H,2,5-6H2,1H3/b8-4-,10-3+.
What are the key properties of (3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol?
(3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol has a molecular weight of 162.23 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol is sourced from PubChem (CID 144565996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).