1-ethylidene-3,5-dimethoxycyclohexane

C10H18O2 — CID 21344808

IUPAC1-ethylidene-3,5-dimethoxycyclohexane
SMILESCC=C1CC(OC)CC(OC)C1
InChIInChI=1S/C10H18O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h4,9-10H,5-7H2,1-3H3
InChIKeyYGVNVEVWTOOJEV-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.15
Rot. Bonds2

About 1-ethylidene-3,5-dimethoxycyclohexane

1-ethylidene-3,5-dimethoxycyclohexane (PubChem CID 21344808) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-ethylidene-3,5-dimethoxycyclohexane.

Molecular Properties

Compound Name1-ethylidene-3,5-dimethoxycyclohexane
PubChem CID21344808
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-ethylidene-3,5-dimethoxycyclohexane
SMILESCC=C1CC(OC)CC(OC)C1
InChIInChI=1S/C10H18O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h4,9-10H,5-7H2,1-3H3
InChIKeyYGVNVEVWTOOJEV-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethoxy-5-methylidenecyclohexane
CID 15710807
2-(3,5-Dimethoxycyclohexylidene)ethanol
CID 21344810
trans-(1R,3R)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol
CID 58687838
cis-(1S,3R)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol
CID 58687848
trans-(1S,3S)-5-(2,2-dimethylpropylidene)cyclohexane-1,3-diol
CID 58687882
trans-(1R,3R)-5-ethylidenecyclohexane-1,3-diol
CID 59972088
trans-(1S,3S)-5-propylidenecyclohexane-1,3-diol
CID 88974949
cis-(1R,3S)-5-propylidenecyclohexane-1,3-diol
CID 88974989
trans-(1R,3R)-5-propylidenecyclohexane-1,3-diol
CID 88975056
1,2,3-Trimethoxy-5-methylidenecyclohexane
CID 91345450
(3R)-5-ethylidenecyclohexane-1,3-diol
CID 118592125
1,3-Bis(hept-5-enoxy)cyclohexane
CID 142724748

Frequently Asked Questions

What is the IUPAC name of 1-ethylidene-3,5-dimethoxycyclohexane?
The IUPAC name of 1-ethylidene-3,5-dimethoxycyclohexane (CID 21344808) is 1-ethylidene-3,5-dimethoxycyclohexane.
What is the SMILES notation for 1-ethylidene-3,5-dimethoxycyclohexane?
The canonical SMILES for 1-ethylidene-3,5-dimethoxycyclohexane is CC=C1CC(OC)CC(OC)C1.
What is the InChIKey of 1-ethylidene-3,5-dimethoxycyclohexane?
The InChIKey is YGVNVEVWTOOJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h4,9-10H,5-7H2,1-3H3.
What are the key properties of 1-ethylidene-3,5-dimethoxycyclohexane?
1-ethylidene-3,5-dimethoxycyclohexane has a molecular weight of 170.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylidene-3,5-dimethoxycyclohexane is sourced from PubChem (CID 21344808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).