2-dodecoxy-2-methyltetradecane

C27H56O — CID 158074564

IUPAC2-dodecoxy-2-methyltetradecane
SMILESCCCCCCCCCCCCOC(C)(C)CCCCCCCCCCCC
InChIInChI=1S/C27H56O/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-26H2,1-4H3
InChIKeyFMFCJJFOMJTLGM-UHFFFAOYSA-N
MW396.74 g/mol
LogP10.01
Rot. Bonds23

About 2-dodecoxy-2-methyltetradecane

2-dodecoxy-2-methyltetradecane (PubChem CID 158074564) has the molecular formula C27H56O and a molecular weight of 396.74 g/mol. Its IUPAC name is 2-dodecoxy-2-methyltetradecane.

Molecular Properties

Compound Name2-dodecoxy-2-methyltetradecane
PubChem CID158074564
Molecular FormulaC27H56O
Molecular Weight396.74 g/mol
Exact Mass396.43
IUPAC Name2-dodecoxy-2-methyltetradecane
SMILESCCCCCCCCCCCCOC(C)(C)CCCCCCCCCCCC
InChIInChI=1S/C27H56O/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-26H2,1-4H3
InChIKeyFMFCJJFOMJTLGM-UHFFFAOYSA-N
XLogP10.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.74
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
2-ethoxy-2-methylundecane
CID 150956805
7-butoxy-1-chloro-7-methyloctane
CID 166130931
9-heptoxy-9-methylhenicosane
CID 91127088
2-methylicosan-2-yloxysilane
CID 173002328
2-methyl-2-propoxyhexane
CID 91043348
2-[2-(2-methyloctan-2-yloxy)ethoxy]ethanol
CID 142712379
10-decoxy-10-nonylnonadecane
CID 150430521
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
1-[6-(10,10-dimethylundecoxy)undecan-6-yloxy]-10,10-dimethylundecane
CID 150886508
4,4-dipentoxytridecane
CID 150402661
1-decoxydecane-1,1-diamine
CID 87410137

Frequently Asked Questions

What is the IUPAC name of 2-dodecoxy-2-methyltetradecane?
The IUPAC name of 2-dodecoxy-2-methyltetradecane (CID 158074564) is 2-dodecoxy-2-methyltetradecane.
What is the SMILES notation for 2-dodecoxy-2-methyltetradecane?
The canonical SMILES for 2-dodecoxy-2-methyltetradecane is CCCCCCCCCCCCOC(C)(C)CCCCCCCCCCCC.
What is the InChIKey of 2-dodecoxy-2-methyltetradecane?
The InChIKey is FMFCJJFOMJTLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-26H2,1-4H3.
What are the key properties of 2-dodecoxy-2-methyltetradecane?
2-dodecoxy-2-methyltetradecane has a molecular weight of 396.74 g/mol, XLogP of 10.01, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecoxy-2-methyltetradecane is sourced from PubChem (CID 158074564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).