2-(2-methylpentoxy)cyclododecan-1-ol

C18H36O2 — CID 103284744

IUPAC2-(2-methylpentoxy)cyclododecan-1-ol
SMILESCCCC(C)COC1CCCCCCCCCCC1O
InChIInChI=1S/C18H36O2/c1-3-12-16(2)15-20-18-14-11-9-7-5-4-6-8-10-13-17(18)19/h16-19H,3-15H2,1-2H3
InChIKeyXRCWJWASNFJJTN-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.08
Rot. Bonds5

About 2-(2-methylpentoxy)cyclododecan-1-ol

2-(2-methylpentoxy)cyclododecan-1-ol (PubChem CID 103284744) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 2-(2-methylpentoxy)cyclododecan-1-ol.

Molecular Properties

Compound Name2-(2-methylpentoxy)cyclododecan-1-ol
PubChem CID103284744
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name2-(2-methylpentoxy)cyclododecan-1-ol
SMILESCCCC(C)COC1CCCCCCCCCCC1O
InChIInChI=1S/C18H36O2/c1-3-12-16(2)15-20-18-14-11-9-7-5-4-6-8-10-13-17(18)19/h16-19H,3-15H2,1-2H3
InChIKeyXRCWJWASNFJJTN-UHFFFAOYSA-N
XLogP5.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentoxy)cyclododecan-1-ol?
The IUPAC name of 2-(2-methylpentoxy)cyclododecan-1-ol (CID 103284744) is 2-(2-methylpentoxy)cyclododecan-1-ol.
What is the SMILES notation for 2-(2-methylpentoxy)cyclododecan-1-ol?
The canonical SMILES for 2-(2-methylpentoxy)cyclododecan-1-ol is CCCC(C)COC1CCCCCCCCCCC1O.
What is the InChIKey of 2-(2-methylpentoxy)cyclododecan-1-ol?
The InChIKey is XRCWJWASNFJJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-3-12-16(2)15-20-18-14-11-9-7-5-4-6-8-10-13-17(18)19/h16-19H,3-15H2,1-2H3.
What are the key properties of 2-(2-methylpentoxy)cyclododecan-1-ol?
2-(2-methylpentoxy)cyclododecan-1-ol has a molecular weight of 284.48 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentoxy)cyclododecan-1-ol is sourced from PubChem (CID 103284744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).