(5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol

C11H20O2 — CID 118659400

IUPAC(5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol
SMILESC/C=C1/CCC(OC(C)C)C(O)C1
InChIInChI=1S/C11H20O2/c1-4-9-5-6-11(10(12)7-9)13-8(2)3/h4,8,10-12H,5-7H2,1-3H3/b9-4-
InChIKeyBRWFLFSCSNDZGG-WTKPLQERSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds2

About (5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol

(5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol (PubChem CID 118659400) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol.

Molecular Properties

Compound Name(5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol
PubChem CID118659400
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol
SMILESC/C=C1/CCC(OC(C)C)C(O)C1
InChIInChI=1S/C11H20O2/c1-4-9-5-6-11(10(12)7-9)13-8(2)3/h4,8,10-12H,5-7H2,1-3H3/b9-4-
InChIKeyBRWFLFSCSNDZGG-WTKPLQERSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4E)-2-butan-2-yloxy-4-ethylidenecyclohexan-1-ol
CID 118673033
(4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol
CID 118659504
(4Z)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4E)-2-ethenoxy-4-ethylidenecyclohexan-1-ol;(4Z)-2-ethoxy-4-ethylidenecyclohexan-1-ol;(5Z)-2-ethoxy-5-ethylidenecyclohexan-1-ol;(5E)-2-ethoxy-5-ethylidenecyclohexan-1-ol
CID 161006134
(4E)-4-ethylidene-2-propoxycyclohexan-1-ol
CID 118659403
(3R,4R)-4-propan-2-yloxypyrrolidin-3-ol
CID 67293919
(4S)-4-propan-2-yloxypyrrolidin-3-ol
CID 67293813
[(1S)-3-ethylidenecyclopentyl]methanol
CID 159536244
(4E)-4-propylidenecyclohexane-1,2-diol
CID 68778200
(3E)-1-ethenyl-3-ethylidenecyclopentane
CID 155632567
tert-butyl N-(3-ethylidenecyclopentyl)carbamate
CID 174757466
trans-(1R,3R)-2-propan-2-yloxycyclohexane-1,3-diol
CID 14642489
(1S,4Z)-4-ethylidene-2,2-dimethylcyclohexan-1-ol
CID 101374109

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol?
The IUPAC name of (5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol (CID 118659400) is (5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol.
What is the SMILES notation for (5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol?
The canonical SMILES for (5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol is C/C=C1/CCC(OC(C)C)C(O)C1.
What is the InChIKey of (5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol?
The InChIKey is BRWFLFSCSNDZGG-WTKPLQERSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-9-5-6-11(10(12)7-9)13-8(2)3/h4,8,10-12H,5-7H2,1-3H3/b9-4-.
What are the key properties of (5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol?
(5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethylidene-2-propan-2-yloxycyclohexan-1-ol is sourced from PubChem (CID 118659400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).