13-methyl-10-propan-2-yltetradecane-1,11-diol

C18H38O2 — CID 23170445

IUPAC13-methyl-10-propan-2-yltetradecane-1,11-diol
SMILESCC(C)CC(O)C(CCCCCCCCCO)C(C)C
InChIInChI=1S/C18H38O2/c1-15(2)14-18(20)17(16(3)4)12-10-8-6-5-7-9-11-13-19/h15-20H,5-14H2,1-4H3
InChIKeyPSRCSSRTRRFQNO-UHFFFAOYSA-N
MW286.50 g/mol
LogP4.78
Rot. Bonds13

About 13-methyl-10-propan-2-yltetradecane-1,11-diol

13-methyl-10-propan-2-yltetradecane-1,11-diol (PubChem CID 23170445) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 13-methyl-10-propan-2-yltetradecane-1,11-diol.

Molecular Properties

Compound Name13-methyl-10-propan-2-yltetradecane-1,11-diol
PubChem CID23170445
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name13-methyl-10-propan-2-yltetradecane-1,11-diol
SMILESCC(C)CC(O)C(CCCCCCCCCO)C(C)C
InChIInChI=1S/C18H38O2/c1-15(2)14-18(20)17(16(3)4)12-10-8-6-5-7-9-11-13-19/h15-20H,5-14H2,1-4H3
InChIKeyPSRCSSRTRRFQNO-UHFFFAOYSA-N
XLogP4.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 13-methyl-10-propan-2-yltetradecane-1,11-diol?
The IUPAC name of 13-methyl-10-propan-2-yltetradecane-1,11-diol (CID 23170445) is 13-methyl-10-propan-2-yltetradecane-1,11-diol.
What is the SMILES notation for 13-methyl-10-propan-2-yltetradecane-1,11-diol?
The canonical SMILES for 13-methyl-10-propan-2-yltetradecane-1,11-diol is CC(C)CC(O)C(CCCCCCCCCO)C(C)C.
What is the InChIKey of 13-methyl-10-propan-2-yltetradecane-1,11-diol?
The InChIKey is PSRCSSRTRRFQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-15(2)14-18(20)17(16(3)4)12-10-8-6-5-7-9-11-13-19/h15-20H,5-14H2,1-4H3.
What are the key properties of 13-methyl-10-propan-2-yltetradecane-1,11-diol?
13-methyl-10-propan-2-yltetradecane-1,11-diol has a molecular weight of 286.50 g/mol, XLogP of 4.78, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-10-propan-2-yltetradecane-1,11-diol is sourced from PubChem (CID 23170445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).