5,5-dimethyl-1-pent-1-en-2-yloxycyclohexene

C13H22O — CID 142382632

IUPAC5,5-dimethyl-1-pent-1-en-2-yloxycyclohexene
SMILESC=C(CCC)OC1=CCCC(C)(C)C1
InChIInChI=1S/C13H22O/c1-5-7-11(2)14-12-8-6-9-13(3,4)10-12/h8H,2,5-7,9-10H2,1,3-4H3
InChIKeyJOWZAMHBQNXFHQ-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.41
Rot. Bonds4

About 5,5-dimethyl-1-pent-1-en-2-yloxycyclohexene

5,5-dimethyl-1-pent-1-en-2-yloxycyclohexene (PubChem CID 142382632) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 5,5-dimethyl-1-pent-1-en-2-yloxycyclohexene.

Molecular Properties

Compound Name5,5-dimethyl-1-pent-1-en-2-yloxycyclohexene
PubChem CID142382632
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name5,5-dimethyl-1-pent-1-en-2-yloxycyclohexene
SMILESC=C(CCC)OC1=CCCC(C)(C)C1
InChIInChI=1S/C13H22O/c1-5-7-11(2)14-12-8-6-9-13(3,4)10-12/h8H,2,5-7,9-10H2,1,3-4H3
InChIKeyJOWZAMHBQNXFHQ-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Cyclohexene, 4-(1,1-dimethylethyl)-1-methoxy-
CID 10975890
Tributyl-(4,4-dimethylcyclohexen-1-yl)oxystannane
CID 16688523
1-Ethoxy-3,3,5-trimethylcyclohex-1-ene
CID 11030239
1-(Difluoromethoxy)-4,4-dimethylcyclohexene
CID 175958278
3,3-Dimethylcyclohex-6-en-1-yl acetate
CID 6428747
1-Methoxy-4,4-dimethyl-cyclohex-1-ene
CID 558759
Ether, tert-butyl 1-cyclohexen-1-yl
CID 566729
1-tert-Butoxy-6-Methylcyclohexene
CID 574418
1-Methoxy-3,5-dimethyl-cyclohexene
CID 580524
3-Methoxy-5,5-dimethylcyclohex-2-ene-1-thione
CID 12468868
5,5-Dimethyl-3-ethoxy-2-cyclohexene-1-thione
CID 12468869
(3,3,5,5-Tetramethylcyclohexen-1-yl) acetate
CID 12692110

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-pent-1-en-2-yloxycyclohexene?
The IUPAC name of 5,5-dimethyl-1-pent-1-en-2-yloxycyclohexene (CID 142382632) is 5,5-dimethyl-1-pent-1-en-2-yloxycyclohexene.
What is the SMILES notation for 5,5-dimethyl-1-pent-1-en-2-yloxycyclohexene?
The canonical SMILES for 5,5-dimethyl-1-pent-1-en-2-yloxycyclohexene is C=C(CCC)OC1=CCCC(C)(C)C1.
What is the InChIKey of 5,5-dimethyl-1-pent-1-en-2-yloxycyclohexene?
The InChIKey is JOWZAMHBQNXFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-5-7-11(2)14-12-8-6-9-13(3,4)10-12/h8H,2,5-7,9-10H2,1,3-4H3.
What are the key properties of 5,5-dimethyl-1-pent-1-en-2-yloxycyclohexene?
5,5-dimethyl-1-pent-1-en-2-yloxycyclohexene has a molecular weight of 194.32 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-pent-1-en-2-yloxycyclohexene is sourced from PubChem (CID 142382632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).