(5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol

C12H18O2 — CID 21343832

IUPAC(5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol
SMILESC=C1/C(=C/C=C(C)C)CC(O)CC1O
InChIInChI=1S/C12H18O2/c1-8(2)4-5-10-6-11(13)7-12(14)9(10)3/h4-5,11-14H,3,6-7H2,1-2H3/b10-5+
InChIKeyUEOZGLOTSUFAPH-BJMVGYQFSA-N
MW194.27 g/mol
LogP1.95
Rot. Bonds1

About (5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol

(5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol (PubChem CID 21343832) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol.

Molecular Properties

Compound Name(5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol
PubChem CID21343832
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol
SMILESC=C1/C(=C/C=C(C)C)CC(O)CC1O
InChIInChI=1S/C12H18O2/c1-8(2)4-5-10-6-11(13)7-12(14)9(10)3/h4-5,11-14H,3,6-7H2,1-2H3/b10-5+
InChIKeyUEOZGLOTSUFAPH-BJMVGYQFSA-N
XLogP1.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol?
The IUPAC name of (5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol (CID 21343832) is (5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol.
What is the SMILES notation for (5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol?
The canonical SMILES for (5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol is C=C1/C(=C/C=C(C)C)CC(O)CC1O.
What is the InChIKey of (5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol?
The InChIKey is UEOZGLOTSUFAPH-BJMVGYQFSA-N. The full InChI is InChI=1S/C12H18O2/c1-8(2)4-5-10-6-11(13)7-12(14)9(10)3/h4-5,11-14H,3,6-7H2,1-2H3/b10-5+.
What are the key properties of (5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol?
(5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol has a molecular weight of 194.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol is sourced from PubChem (CID 21343832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).