1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane

C24H44O3 — CID 130414729

IUPAC1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane
SMILESCCCOC1CCC(C2CCC(C3CCC(C(OC)OC)CC3)CC2)CC1
InChIInChI=1S/C24H44O3/c1-4-17-27-23-15-13-21(14-16-23)19-7-5-18(6-8-19)20-9-11-22(12-10-20)24(25-2)26-3/h18-24H,4-17H2,1-3H3
InChIKeyBPVNQHDNIDGCJC-UHFFFAOYSA-N
MW380.61 g/mol
LogP6.20
Rot. Bonds8

About 1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane

1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane (PubChem CID 130414729) has the molecular formula C24H44O3 and a molecular weight of 380.61 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane
PubChem CID130414729
Molecular FormulaC24H44O3
Molecular Weight380.61 g/mol
Exact Mass380.33
IUPAC Name1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane
SMILESCCCOC1CCC(C2CCC(C3CCC(C(OC)OC)CC3)CC2)CC1
InChIInChI=1S/C24H44O3/c1-4-17-27-23-15-13-21(14-16-23)19-7-5-18(6-8-19)20-9-11-22(12-10-20)24(25-2)26-3/h18-24H,4-17H2,1-3H3
InChIKeyBPVNQHDNIDGCJC-UHFFFAOYSA-N
XLogP6.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.61
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane (CID 130414729) is 1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane is CCCOC1CCC(C2CCC(C3CCC(C(OC)OC)CC3)CC2)CC1.
What is the InChIKey of 1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane?
The InChIKey is BPVNQHDNIDGCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O3/c1-4-17-27-23-15-13-21(14-16-23)19-7-5-18(6-8-19)20-9-11-22(12-10-20)24(25-2)26-3/h18-24H,4-17H2,1-3H3.
What are the key properties of 1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane?
1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane has a molecular weight of 380.61 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 130414729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).