cyclododecen-1-ylmethanol

C13H24O — CID 70464862

IUPACcyclododecen-1-ylmethanol
SMILESOCC1=CCCCCCCCCCC1
InChIInChI=1S/C13H24O/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h10,14H,1-9,11-12H2
InChIKeyULRZWMIEUCJNBC-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.82
Rot. Bonds1

About cyclododecen-1-ylmethanol

cyclododecen-1-ylmethanol (PubChem CID 70464862) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is cyclododecen-1-ylmethanol.

Molecular Properties

Compound Namecyclododecen-1-ylmethanol
PubChem CID70464862
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Namecyclododecen-1-ylmethanol
SMILESOCC1=CCCCCCCCCCC1
InChIInChI=1S/C13H24O/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h10,14H,1-9,11-12H2
InChIKeyULRZWMIEUCJNBC-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexen-1-ylmethanol;ethane;prop-1-yne
CID 142193644
cyclododecen-1-ylmethanamine
CID 70571219
2-(Cyclohex-1-en-1-yl)ethyl
CID 57423167
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
1-(methoxymethyl)cycloheptene
CID 66889077
2-(cyclohepten-1-yl)ethanamine;hydrochloride
CID 75421023
(1E)-1-(methylsulfanylmethyl)cyclooctene
CID 87205341
1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331
2-(cyclohexen-1-yl)ethanethioamide
CID 82668044
1-butylcyclononene
CID 56981158
tris([(1E,3Z)-cycloocta-1,3-dien-1-yl]methanol);iridium
CID 153325121
2-[(1E)-cycloocten-1-yl]oxyethanol
CID 170306733

Frequently Asked Questions

What is the IUPAC name of cyclododecen-1-ylmethanol?
The IUPAC name of cyclododecen-1-ylmethanol (CID 70464862) is cyclododecen-1-ylmethanol.
What is the SMILES notation for cyclododecen-1-ylmethanol?
The canonical SMILES for cyclododecen-1-ylmethanol is OCC1=CCCCCCCCCCC1.
What is the InChIKey of cyclododecen-1-ylmethanol?
The InChIKey is ULRZWMIEUCJNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h10,14H,1-9,11-12H2.
What are the key properties of cyclododecen-1-ylmethanol?
cyclododecen-1-ylmethanol has a molecular weight of 196.33 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecen-1-ylmethanol is sourced from PubChem (CID 70464862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).