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

C12H18O2 — CID 58648470

IUPACtrans-(1R,3S,5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol
SMILESC=C1/C(=C/C=C(C)C)C[C@@H](O)C[C@@H]1O
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+/t11-,12+/m1/s1
InChIKeyUEOZGLOTSUFAPH-SRXIBPRUSA-N
MW194.27 g/mol
LogP1.95
Rot. Bonds1

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

trans-(1R,3S,5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol (PubChem CID 58648470) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is trans-(1R,3S,5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol.

Molecular Properties

Compound Nametrans-(1R,3S,5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol
PubChem CID58648470
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Nametrans-(1R,3S,5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol
SMILESC=C1/C(=C/C=C(C)C)C[C@@H](O)C[C@@H]1O
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+/t11-,12+/m1/s1
InChIKeyUEOZGLOTSUFAPH-SRXIBPRUSA-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 trans-(1R,3S,5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol?
The IUPAC name of trans-(1R,3S,5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol (CID 58648470) is trans-(1R,3S,5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol.
What is the SMILES notation for trans-(1R,3S,5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol?
The canonical SMILES for trans-(1R,3S,5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol is C=C1/C(=C/C=C(C)C)C[C@@H](O)C[C@@H]1O.
What is the InChIKey of trans-(1R,3S,5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol?
The InChIKey is UEOZGLOTSUFAPH-SRXIBPRUSA-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+/t11-,12+/m1/s1.
What are the key properties of trans-(1R,3S,5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol?
trans-(1R,3S,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 trans-(1R,3S,5E)-5-(3-methylbut-2-enylidene)-4-methylidenecyclohexane-1,3-diol is sourced from PubChem (CID 58648470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).