3,6-dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol

C11H18O2 — CID 130390502

IUPAC3,6-dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol
SMILESC=C(C)OC1CC(C)=CC(O)C1C
InChIInChI=1S/C11H18O2/c1-7(2)13-11-6-8(3)5-10(12)9(11)4/h5,9-12H,1,6H2,2-4H3
InChIKeyBVDGXNCCUKFCBX-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.25
Rot. Bonds2

About 3,6-dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol

3,6-dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol (PubChem CID 130390502) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3,6-dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol.

Molecular Properties

Compound Name3,6-dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol
PubChem CID130390502
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3,6-dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol
SMILESC=C(C)OC1CC(C)=CC(O)C1C
InChIInChI=1S/C11H18O2/c1-7(2)13-11-6-8(3)5-10(12)9(11)4/h5,9-12H,1,6H2,2-4H3
InChIKeyBVDGXNCCUKFCBX-UHFFFAOYSA-N
XLogP2.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol?
The IUPAC name of 3,6-dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol (CID 130390502) is 3,6-dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol.
What is the SMILES notation for 3,6-dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol?
The canonical SMILES for 3,6-dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol is C=C(C)OC1CC(C)=CC(O)C1C.
What is the InChIKey of 3,6-dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol?
The InChIKey is BVDGXNCCUKFCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-7(2)13-11-6-8(3)5-10(12)9(11)4/h5,9-12H,1,6H2,2-4H3.
What are the key properties of 3,6-dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol?
3,6-dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol has a molecular weight of 182.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5-prop-1-en-2-yloxycyclohex-2-en-1-ol is sourced from PubChem (CID 130390502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).