1-methylcyclododecan-1-ol

C13H26O — CID 551409

IUPAC1-methylcyclododecan-1-ol
SMILESCC1(O)CCCCCCCCCCC1
InChIInChI=1S/C13H26O/c1-13(14)11-9-7-5-3-2-4-6-8-10-12-13/h14H,2-12H2,1H3
InChIKeyWZFBSGQWIXRQOL-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.04
Rot. Bonds

About 1-methylcyclododecan-1-ol

1-methylcyclododecan-1-ol (PubChem CID 551409) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-methylcyclododecan-1-ol.

Molecular Properties

Compound Name1-methylcyclododecan-1-ol
PubChem CID551409
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name1-methylcyclododecan-1-ol
SMILESCC1(O)CCCCCCCCCCC1
InChIInChI=1S/C13H26O/c1-13(14)11-9-7-5-3-2-4-6-8-10-12-13/h14H,2-12H2,1H3
InChIKeyWZFBSGQWIXRQOL-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydrolinalool
CID 6548
1-Methylcycloheptan-1-ol
CID 77376
2-Methyl-2-heptanol
CID 12242
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
1-Ethylcyclohexanol
CID 16021
1-Propyl-1-cyclopentanol
CID 98267
2,7-Dimethyl-2,7-octanediol
CID 140597

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclododecan-1-ol?
The IUPAC name of 1-methylcyclododecan-1-ol (CID 551409) is 1-methylcyclododecan-1-ol.
What is the SMILES notation for 1-methylcyclododecan-1-ol?
The canonical SMILES for 1-methylcyclododecan-1-ol is CC1(O)CCCCCCCCCCC1.
What is the InChIKey of 1-methylcyclododecan-1-ol?
The InChIKey is WZFBSGQWIXRQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-13(14)11-9-7-5-3-2-4-6-8-10-12-13/h14H,2-12H2,1H3.
What are the key properties of 1-methylcyclododecan-1-ol?
1-methylcyclododecan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 4.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclododecan-1-ol is sourced from PubChem (CID 551409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).