(6E)-6-butylidene-5-methylidenecyclohexa-1,3-diene-1,3-diol

C11H14O2 — CID 163484580

IUPAC(6E)-6-butylidene-5-methylidenecyclohexa-1,3-diene-1,3-diol
SMILESC=c1cc(O)cc(O)/c1=C/CCC
InChIInChI=1S/C11H14O2/c1-3-4-5-10-8(2)6-9(12)7-11(10)13/h5-7,12-13H,2-4H2,1H3/b10-5+
InChIKeyCHMIPDQNDZKDGF-BJMVGYQFSA-N
MW178.23 g/mol
LogP1.09
Rot. Bonds2

About (6E)-6-butylidene-5-methylidenecyclohexa-1,3-diene-1,3-diol

(6E)-6-butylidene-5-methylidenecyclohexa-1,3-diene-1,3-diol (PubChem CID 163484580) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (6E)-6-butylidene-5-methylidenecyclohexa-1,3-diene-1,3-diol.

Molecular Properties

Compound Name(6E)-6-butylidene-5-methylidenecyclohexa-1,3-diene-1,3-diol
PubChem CID163484580
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(6E)-6-butylidene-5-methylidenecyclohexa-1,3-diene-1,3-diol
SMILESC=c1cc(O)cc(O)/c1=C/CCC
InChIInChI=1S/C11H14O2/c1-3-4-5-10-8(2)6-9(12)7-11(10)13/h5-7,12-13H,2-4H2,1H3/b10-5+
InChIKeyCHMIPDQNDZKDGF-BJMVGYQFSA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-butylidene-5-methylidenecyclohexa-1,3-diene-1,3-diol?
The IUPAC name of (6E)-6-butylidene-5-methylidenecyclohexa-1,3-diene-1,3-diol (CID 163484580) is (6E)-6-butylidene-5-methylidenecyclohexa-1,3-diene-1,3-diol.
What is the SMILES notation for (6E)-6-butylidene-5-methylidenecyclohexa-1,3-diene-1,3-diol?
The canonical SMILES for (6E)-6-butylidene-5-methylidenecyclohexa-1,3-diene-1,3-diol is C=c1cc(O)cc(O)/c1=C/CCC.
What is the InChIKey of (6E)-6-butylidene-5-methylidenecyclohexa-1,3-diene-1,3-diol?
The InChIKey is CHMIPDQNDZKDGF-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-4-5-10-8(2)6-9(12)7-11(10)13/h5-7,12-13H,2-4H2,1H3/b10-5+.
What are the key properties of (6E)-6-butylidene-5-methylidenecyclohexa-1,3-diene-1,3-diol?
(6E)-6-butylidene-5-methylidenecyclohexa-1,3-diene-1,3-diol has a molecular weight of 178.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-butylidene-5-methylidenecyclohexa-1,3-diene-1,3-diol is sourced from PubChem (CID 163484580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).