3,7,11-trimethyldodecan-3-ol

C15H32O — CID 23701

IUPAC3,7,11-trimethyldodecan-3-ol
SMILESCCC(C)(O)CCCC(C)CCCC(C)C
InChIInChI=1S/C15H32O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h13-14,16H,6-12H2,1-5H3
InChIKeyNUKWKMGANFONQP-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.78
Rot. Bonds9

About 3,7,11-trimethyldodecan-3-ol

3,7,11-trimethyldodecan-3-ol (PubChem CID 23701) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 3,7,11-trimethyldodecan-3-ol.

Molecular Properties

Compound Name3,7,11-trimethyldodecan-3-ol
PubChem CID23701
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name3,7,11-trimethyldodecan-3-ol
SMILESCCC(C)(O)CCCC(C)CCCC(C)C
InChIInChI=1S/C15H32O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h13-14,16H,6-12H2,1-5H3
InChIKeyNUKWKMGANFONQP-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 77376
2,4-Dimethyl-4-nonanol
CID 3018500
3,6-Dimethyl-3-octanol
CID 9027
2,6-Dimethyl-2-heptanol
CID 83268
Tetrahydromyrcenol
CID 86751
2-Octanol, 2-methyl-
CID 69406
3-Methyl-3-octanol
CID 21432
2,7-Dimethyl-2,7-octanediol
CID 140597
2-Nonanol, 2-methyl-
CID 25139

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyldodecan-3-ol?
The IUPAC name of 3,7,11-trimethyldodecan-3-ol (CID 23701) is 3,7,11-trimethyldodecan-3-ol.
What is the SMILES notation for 3,7,11-trimethyldodecan-3-ol?
The canonical SMILES for 3,7,11-trimethyldodecan-3-ol is CCC(C)(O)CCCC(C)CCCC(C)C.
What is the InChIKey of 3,7,11-trimethyldodecan-3-ol?
The InChIKey is NUKWKMGANFONQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 3,7,11-trimethyldodecan-3-ol?
3,7,11-trimethyldodecan-3-ol has a molecular weight of 228.42 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodecan-3-ol is sourced from PubChem (CID 23701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).