1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane

C23H46 — CID 123616898

IUPAC1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane
SMILESCCCC1CC1C(C(C)CCCCC(C)C)C(CC)C(C)CC
InChIInChI=1S/C23H46/c1-8-13-20-16-22(20)23(21(10-3)18(6)9-2)19(7)15-12-11-14-17(4)5/h17-23H,8-16H2,1-7H3
InChIKeyHSHAUBKMMAKEIT-UHFFFAOYSA-N
MW322.62 g/mol
LogP7.96
Rot. Bonds13

About 1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane

1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane (PubChem CID 123616898) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane.

Molecular Properties

Compound Name1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane
PubChem CID123616898
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane
SMILESCCCC1CC1C(C(C)CCCCC(C)C)C(CC)C(C)CC
InChIInChI=1S/C23H46/c1-8-13-20-16-22(20)23(21(10-3)18(6)9-2)19(7)15-12-11-14-17(4)5/h17-23H,8-16H2,1-7H3
InChIKeyHSHAUBKMMAKEIT-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane?
The IUPAC name of 1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane (CID 123616898) is 1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane.
What is the SMILES notation for 1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane?
The canonical SMILES for 1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane is CCCC1CC1C(C(C)CCCCC(C)C)C(CC)C(C)CC.
What is the InChIKey of 1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane?
The InChIKey is HSHAUBKMMAKEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-8-13-20-16-22(20)23(21(10-3)18(6)9-2)19(7)15-12-11-14-17(4)5/h17-23H,8-16H2,1-7H3.
What are the key properties of 1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane?
1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane has a molecular weight of 322.62 g/mol, XLogP of 7.96, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane is sourced from PubChem (CID 123616898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).