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

C15H28O — CID 24977822

IUPAC3-prop-1-en-2-ylcyclododecan-1-ol
SMILESC=C(C)C1CCCCCCCCCC(O)C1
InChIInChI=1S/C15H28O/c1-13(2)14-10-8-6-4-3-5-7-9-11-15(16)12-14/h14-16H,1,3-12H2,2H3
InChIKeyXGDOYXQQKCRIJF-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.45
Rot. Bonds1

About 3-prop-1-en-2-ylcyclododecan-1-ol

3-prop-1-en-2-ylcyclododecan-1-ol (PubChem CID 24977822) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-prop-1-en-2-ylcyclododecan-1-ol.

Molecular Properties

Compound Name3-prop-1-en-2-ylcyclododecan-1-ol
PubChem CID24977822
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name3-prop-1-en-2-ylcyclododecan-1-ol
SMILESC=C(C)C1CCCCCCCCCC(O)C1
InChIInChI=1S/C15H28O/c1-13(2)14-10-8-6-4-3-5-7-9-11-15(16)12-14/h14-16H,1,3-12H2,2H3
InChIKeyXGDOYXQQKCRIJF-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-(1S,3R)-cyclooctane-1,3-diol
CID 59075450
cis-(1S,3R)-1-methyl-3-prop-1-en-2-ylcyclohexane
CID 13138751
2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90735344
tetrakis(cyclooctanol);zirconium
CID 142301923
(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol
CID 165066222
3-methylcyclononan-1-ol
CID 143603449
3-methylbuta-1,3-dien-2-ylcyclohexane
CID 123355728
(1S)-3-methylcyclopentadecan-1-ol
CID 177450802
3-(2-methylprop-2-enyl)cycloheptan-1-ol
CID 79185632
4-methylpenta-1,3-dien-2-ylcyclohexane
CID 145299329
cyclohexanol;methanol
CID 18353815
cyclohexanol;cyclooctanol
CID 22461579

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-ylcyclododecan-1-ol?
The IUPAC name of 3-prop-1-en-2-ylcyclododecan-1-ol (CID 24977822) is 3-prop-1-en-2-ylcyclododecan-1-ol.
What is the SMILES notation for 3-prop-1-en-2-ylcyclododecan-1-ol?
The canonical SMILES for 3-prop-1-en-2-ylcyclododecan-1-ol is C=C(C)C1CCCCCCCCCC(O)C1.
What is the InChIKey of 3-prop-1-en-2-ylcyclododecan-1-ol?
The InChIKey is XGDOYXQQKCRIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-13(2)14-10-8-6-4-3-5-7-9-11-15(16)12-14/h14-16H,1,3-12H2,2H3.
What are the key properties of 3-prop-1-en-2-ylcyclododecan-1-ol?
3-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 3-prop-1-en-2-ylcyclododecan-1-ol is sourced from PubChem (CID 24977822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).