CID 174148320

C10H17B — CID 174148320

IUPAC—
SMILES[B]C1CCC2(CCCC2)CC1
InChIInChI=1S/C10H17B/c11-9-3-7-10(8-4-9)5-1-2-6-10/h9H,1-8H2
InChIKeyNEPPXPREOOHXMF-UHFFFAOYSA-N
MW148.06 g/mol
LogP3.08
Rot. Bonds

About CID 174148320

CID 174148320 (PubChem CID 174148320) has the molecular formula C10H17B and a molecular weight of 148.06 g/mol.

Molecular Properties

Compound NameCID 174148320
PubChem CID174148320
Molecular FormulaC10H17B
Molecular Weight148.06 g/mol
Exact Mass148.14
IUPAC Name—
SMILES[B]C1CCC2(CCCC2)CC1
InChIInChI=1S/C10H17B/c11-9-3-7-10(8-4-9)5-1-2-6-10/h9H,1-8H2
InChIKeyNEPPXPREOOHXMF-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.06
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

spiro[4.4]nonane
CID 90780660
spiro[5.6]dodecan-3-amine
CID 56639662
3-methylspiro[5.6]dodecane
CID 143797283
spiro[4.4]nonane;dihydrochloride
CID 172764572
dispiro[2.2.46.23]dodecane
CID 123747481
spiro[2.4]heptane
CID 12657448
spiro[2.7]decane
CID 12657449
spiro[2.4]heptane;spiro[3.4]octane
CID 145351897
spiro[4.6]undecane-8,9-dicarbonitrile
CID 71228429
11-deuterio-11-methyldispiro[4.2.58.25]pentadecane
CID 157178065
spiro[5.5]undecan-3-ylmethylazanium
CID 58073628
bicyclo[2.2.1]heptane;spiro[5.5]undecane
CID 157147118

Frequently Asked Questions

What is the IUPAC name of CID 174148320?
The IUPAC name of CID 174148320 (CID 174148320) is not available.
What is the SMILES notation for CID 174148320?
The canonical SMILES for CID 174148320 is [B]C1CCC2(CCCC2)CC1.
What is the InChIKey of CID 174148320?
The InChIKey is NEPPXPREOOHXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17B/c11-9-3-7-10(8-4-9)5-1-2-6-10/h9H,1-8H2.
What are the key properties of CID 174148320?
CID 174148320 has a molecular weight of 148.06 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174148320 is sourced from PubChem (CID 174148320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).