CID 87686017

C10H15BO2 — CID 87686017

IUPAC—
SMILES[B]OC12CCCC1(CC=C)CCO2
InChIInChI=1S/C10H15BO2/c1-2-4-9-5-3-6-10(9,13-11)12-8-7-9/h2H,1,3-8H2
InChIKeyMNPHVXSMCGPHBN-UHFFFAOYSA-N
MW178.04 g/mol
LogP1.95
Rot. Bonds3

About CID 87686017

CID 87686017 (PubChem CID 87686017) has the molecular formula C10H15BO2 and a molecular weight of 178.04 g/mol.

Molecular Properties

Compound NameCID 87686017
PubChem CID87686017
Molecular FormulaC10H15BO2
Molecular Weight178.04 g/mol
Exact Mass178.12
IUPAC Name—
SMILES[B]OC12CCCC1(CC=C)CCO2
InChIInChI=1S/C10H15BO2/c1-2-4-9-5-3-6-10(9,13-11)12-8-7-9/h2H,1,3-8H2
InChIKeyMNPHVXSMCGPHBN-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.04
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
CID 11298330
(3aR,6aS)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol
CID 130348395
1-ethyl-1-prop-2-enylcyclobutane
CID 123404506
(3aS,6aS)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(3aR,6aR)-3a-prop-2-enyl-6a-[[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan;(1R,2R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 160911944
1,1-bis(prop-2-enyl)cycloheptane
CID 90742385
4-[(1S)-1-[[(3aR,6aR)-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethyl]-3,3-difluoro-1H-indol-2-one
CID 121361852
2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane
CID 23118642
6a-methoxy-3a-(methylsulfanylmethyl)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
CID 69014392
2-(1-prop-2-enylcyclohexyl)acetaldehyde
CID 163359647
dimethyl-[(1-prop-2-enylcyclobutyl)methoxy]silane
CID 175444338
N-methyl-1-(1-prop-2-enylcyclobutyl)methanamine
CID 130672837
3-prop-2-enyl-3-propyloxolane
CID 68879420

Frequently Asked Questions

What is the IUPAC name of CID 87686017?
The IUPAC name of CID 87686017 (CID 87686017) is not available.
What is the SMILES notation for CID 87686017?
The canonical SMILES for CID 87686017 is [B]OC12CCCC1(CC=C)CCO2.
What is the InChIKey of CID 87686017?
The InChIKey is MNPHVXSMCGPHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO2/c1-2-4-9-5-3-6-10(9,13-11)12-8-7-9/h2H,1,3-8H2.
What are the key properties of CID 87686017?
CID 87686017 has a molecular weight of 178.04 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87686017 is sourced from PubChem (CID 87686017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).