2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane

C30H62O2 — CID 142533221

IUPAC2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane
SMILESCCCCCCCCCCCC(C(C)OC(C)CCCCC)C(C)OC(C)CCCCC
InChIInChI=1S/C30H62O2/c1-8-11-14-15-16-17-18-19-22-25-30(28(6)31-26(4)23-20-12-9-2)29(7)32-27(5)24-21-13-10-3/h26-30H,8-25H2,1-7H3
InChIKeySLMHLLGRWHCGFM-UHFFFAOYSA-N
MW454.82 g/mol
LogP10.27
Rot. Bonds24

About 2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane

2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane (PubChem CID 142533221) has the molecular formula C30H62O2 and a molecular weight of 454.82 g/mol. Its IUPAC name is 2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane.

Molecular Properties

Compound Name2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane
PubChem CID142533221
Molecular FormulaC30H62O2
Molecular Weight454.82 g/mol
Exact Mass454.47
IUPAC Name2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane
SMILESCCCCCCCCCCCC(C(C)OC(C)CCCCC)C(C)OC(C)CCCCC
InChIInChI=1S/C30H62O2/c1-8-11-14-15-16-17-18-19-22-25-30(28(6)31-26(4)23-20-12-9-2)29(7)32-27(5)24-21-13-10-3/h26-30H,8-25H2,1-7H3
InChIKeySLMHLLGRWHCGFM-UHFFFAOYSA-N
XLogP10.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.82
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-octan-2-yloxyoctane;propane-1,2-diol
CID 174594083
2-(1-methoxyethoxy)dodecane
CID 121368896
(Z)-19-[(Z)-icos-11-en-2-yl]oxyicos-9-ene
CID 88819107
2-methyl-3-propan-2-yltetradecane
CID 154298453
O-hexadecan-2-ylhydroxylamine
CID 18799052
tetradecan-2-yloxysilane
CID 173015270
2-ethoxytridecane
CID 54143367
4-octan-2-yloxy-N-propylpentan-1-amine
CID 55078052
bis[(2R)-octan-2-yl] [(2S)-octan-2-yl] borate
CID 99771040
1-octan-2-yloxydecane
CID 86220707
di(undecan-2-yloxy)silane
CID 123423274
di(decan-2-yloxy)silane
CID 123195552

Frequently Asked Questions

What is the IUPAC name of 2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane?
The IUPAC name of 2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane (CID 142533221) is 2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane.
What is the SMILES notation for 2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane?
The canonical SMILES for 2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane is CCCCCCCCCCCC(C(C)OC(C)CCCCC)C(C)OC(C)CCCCC.
What is the InChIKey of 2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane?
The InChIKey is SLMHLLGRWHCGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O2/c1-8-11-14-15-16-17-18-19-22-25-30(28(6)31-26(4)23-20-12-9-2)29(7)32-27(5)24-21-13-10-3/h26-30H,8-25H2,1-7H3.
What are the key properties of 2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane?
2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane has a molecular weight of 454.82 g/mol, XLogP of 10.27, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-2-yloxy-3-(1-heptan-2-yloxyethyl)tetradecane is sourced from PubChem (CID 142533221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).