3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol

C14H26O — CID 123364652

IUPAC3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol
SMILESC=CCCC1C(CCCC)C1CCCO
InChIInChI=1S/C14H26O/c1-3-5-8-12-13(9-6-4-2)14(12)10-7-11-15/h3,12-15H,1,4-11H2,2H3
InChIKeyONFSBUCBPPPKQT-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.78
Rot. Bonds9

About 3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol

3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol (PubChem CID 123364652) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol
PubChem CID123364652
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol
SMILESC=CCCC1C(CCCC)C1CCCO
InChIInChI=1S/C14H26O/c1-3-5-8-12-13(9-6-4-2)14(12)10-7-11-15/h3,12-15H,1,4-11H2,2H3
InChIKeyONFSBUCBPPPKQT-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.78
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

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butan-1-ol;ethenol
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hexa-1,5-diene;propane;propan-1-ol
CID 145351847
decan-1-ol;dec-9-en-1-ol;trichlororhodium
CID 158308896
butan-1-ol;ethane;3-methoxyprop-1-ene
CID 142059621
3-[(1S,2R,4R)-2-ethyl-4-prop-2-enylcyclobutyl]propan-1-ol
CID 11332854
butan-1-ol;chloroethene
CID 174931728
hex-1-ene;zinc
CID 174554611
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CID 10536522

Frequently Asked Questions

What is the IUPAC name of 3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol?
The IUPAC name of 3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol (CID 123364652) is 3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol.
What is the SMILES notation for 3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol?
The canonical SMILES for 3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol is C=CCCC1C(CCCC)C1CCCO.
What is the InChIKey of 3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol?
The InChIKey is ONFSBUCBPPPKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-3-5-8-12-13(9-6-4-2)14(12)10-7-11-15/h3,12-15H,1,4-11H2,2H3.
What are the key properties of 3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol?
3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol has a molecular weight of 210.36 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-but-3-enyl-3-butylcyclopropyl)propan-1-ol is sourced from PubChem (CID 123364652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).