1-(1,1-dimethoxyethyl)cyclohexene

C10H18O2 — CID 12809636

IUPAC1-(1,1-dimethoxyethyl)cyclohexene
SMILESCOC(C)(OC)C1=CCCCC1
InChIInChI=1S/C10H18O2/c1-10(11-2,12-3)9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3
InChIKeyNFCAMFCAVHXMQS-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds3

About 1-(1,1-dimethoxyethyl)cyclohexene

1-(1,1-dimethoxyethyl)cyclohexene (PubChem CID 12809636) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(1,1-dimethoxyethyl)cyclohexene.

Molecular Properties

Compound Name1-(1,1-dimethoxyethyl)cyclohexene
PubChem CID12809636
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(1,1-dimethoxyethyl)cyclohexene
SMILESCOC(C)(OC)C1=CCCCC1
InChIInChI=1S/C10H18O2/c1-10(11-2,12-3)9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3
InChIKeyNFCAMFCAVHXMQS-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethoxyethyl)cyclohexene?
The IUPAC name of 1-(1,1-dimethoxyethyl)cyclohexene (CID 12809636) is 1-(1,1-dimethoxyethyl)cyclohexene.
What is the SMILES notation for 1-(1,1-dimethoxyethyl)cyclohexene?
The canonical SMILES for 1-(1,1-dimethoxyethyl)cyclohexene is COC(C)(OC)C1=CCCCC1.
What is the InChIKey of 1-(1,1-dimethoxyethyl)cyclohexene?
The InChIKey is NFCAMFCAVHXMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(11-2,12-3)9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3.
What are the key properties of 1-(1,1-dimethoxyethyl)cyclohexene?
1-(1,1-dimethoxyethyl)cyclohexene has a molecular weight of 170.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethoxyethyl)cyclohexene is sourced from PubChem (CID 12809636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).