(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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Related Compounds

(5Z)-4-methylidene-5-prop-2-enylidenecyclohexane-1,3-diol
CID 59883743
(5Z)-4-methylidene-5-(2-phosphanylethylidene)cyclohexane-1,3-diol
CID 88564570
(1R,2S,4Z,6R)-4-(3-methylbut-2-enylidene)-3-methylidene-7-oxabicyclo[4.2.0]octan-2-ol
CID 58648477
(5E)-5-[(2Z)-2-[(1S,7aR)-1,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 59966631
trans-(1R,3S,5Z)-5-[(E)-3-[3-(5-hydroxy-5-methylhexyl)phenyl]pent-2-enylidene]-4-methylidenecyclohexane-1,3-diol
CID 118101162
trans-(1R,3S,5Z)-5-[(E)-3-[3-(6-hydroxy-6-methylheptyl)phenyl]pent-2-enylidene]-4-methylidenecyclohexane-1,3-diol
CID 91799374
trans-(1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol
CID 122552431
trans-(1R,3S)-5-[2-[(1S,3aS,7aS)-1-(1,1-dihydroxyethyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 56626217
2-[(3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]acetaldehyde
CID 89191868
trans-(1R,3S,5Z)-5-[(E)-4-[(1S,3S)-3-(4-ethyl-4-hydroxyhexyl)-1,2,2-trimethylcyclopentyl]but-2-enylidene]-4-methylidenecyclohexane-1,3-diol
CID 59054911
trans-(1R,3S,5Z)-5-[(E)-3-[3-(1,1,2,6,6,6-hexadeuterio-5-hydroxyhexyl)phenyl]pent-2-enylidene]-4-methylidenecyclohexane-1,3-diol
CID 140746042
trans-(1R,3S)-5-[2-[(1R,7aR)-7a-methyl-1-[(2R)-5-methylhex-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 90700971

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).