2-prop-1-en-2-ylcyclododecan-1-ol

C15H28O — CID 141054945

IUPAC2-prop-1-en-2-ylcyclododecan-1-ol
SMILESC=C(C)C1CCCCCCCCCCC1O
InChIInChI=1S/C15H28O/c1-13(2)14-11-9-7-5-3-4-6-8-10-12-15(14)16/h14-16H,1,3-12H2,2H3
InChIKeyCREFTCMTWYQLMP-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.45
Rot. Bonds1

About 2-prop-1-en-2-ylcyclododecan-1-ol

2-prop-1-en-2-ylcyclododecan-1-ol (PubChem CID 141054945) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-prop-1-en-2-ylcyclododecan-1-ol.

Molecular Properties

Compound Name2-prop-1-en-2-ylcyclododecan-1-ol
PubChem CID141054945
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-prop-1-en-2-ylcyclododecan-1-ol
SMILESC=C(C)C1CCCCCCCCCCC1O
InChIInChI=1S/C15H28O/c1-13(2)14-11-9-7-5-3-4-6-8-10-12-15(14)16/h14-16H,1,3-12H2,2H3
InChIKeyCREFTCMTWYQLMP-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.45
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

cis-(1R,2R)-2-prop-1-en-2-ylcyclopentan-1-ol
CID 12033954
ethane;trans-(1R,2S)-2-(3-hydroxyprop-1-en-2-yl)cycloheptan-1-ol
CID 90793138
trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane
CID 163550244
(1R,2S,3R)-2-ethenyl-3-prop-1-en-2-ylcyclohexan-1-ol
CID 131042197
2-prop-1-en-2-ylbicyclo[9.7.0]octadecane
CID 123413845
cis-(1R,2R)-2-(3-hydroxyprop-1-en-2-yl)cyclooctan-1-ol
CID 15355962
cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
cycloundecane-1,2-diol
CID 67185134
trans-(1S,2R)-2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexan-1-ol
CID 101388261

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-ylcyclododecan-1-ol?
The IUPAC name of 2-prop-1-en-2-ylcyclododecan-1-ol (CID 141054945) is 2-prop-1-en-2-ylcyclododecan-1-ol.
What is the SMILES notation for 2-prop-1-en-2-ylcyclododecan-1-ol?
The canonical SMILES for 2-prop-1-en-2-ylcyclododecan-1-ol is C=C(C)C1CCCCCCCCCCC1O.
What is the InChIKey of 2-prop-1-en-2-ylcyclododecan-1-ol?
The InChIKey is CREFTCMTWYQLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-13(2)14-11-9-7-5-3-4-6-8-10-12-15(14)16/h14-16H,1,3-12H2,2H3.
What are the key properties of 2-prop-1-en-2-ylcyclododecan-1-ol?
2-prop-1-en-2-ylcyclododecan-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-ylcyclododecan-1-ol is sourced from PubChem (CID 141054945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).