CID 169427116

C10H18B — CID 169427116

IUPAC—
SMILESCC1CCC2CCC(C)C12.[B]
InChIInChI=1S/C10H18.B/c1-7-3-5-9-6-4-8(2)10(7)9;/h7-10H,3-6H2,1-2H3;
InChIKeyYSAAHXIVESIQTH-UHFFFAOYSA-N
MW149.07 g/mol
LogP2.70
Rot. Bonds

About CID 169427116

CID 169427116 (PubChem CID 169427116) has the molecular formula C10H18B and a molecular weight of 149.07 g/mol.

Molecular Properties

Compound NameCID 169427116
PubChem CID169427116
Molecular FormulaC10H18B
Molecular Weight149.07 g/mol
Exact Mass149.15
IUPAC Name—
SMILESCC1CCC2CCC(C)C12.[B]
InChIInChI=1S/C10H18.B/c1-7-3-5-9-6-4-8(2)10(7)9;/h7-10H,3-6H2,1-2H3;
InChIKeyYSAAHXIVESIQTH-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.07
LogP ≤ 52.70
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

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(6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
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ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90824446
(2,4-dimethylcyclobutyl)cyclopentane
CID 76591276
tetracyclo[6.2.2.23,6.02,7]tetradecane
CID 14196498
ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene)
CID 157279018
7-methyltricyclo[4.3.1.03,10]decane
CID 147439470
(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403
4,7-dimethyltricyclo[6.2.0.03,10]decane-2,9-diamine
CID 135258769
(5S)-2-methylbicyclo[3.2.1]octane
CID 154516111
(1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane
CID 143721381
(1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane
CID 134386503

Frequently Asked Questions

What is the IUPAC name of CID 169427116?
The IUPAC name of CID 169427116 (CID 169427116) is not available.
What is the SMILES notation for CID 169427116?
The canonical SMILES for CID 169427116 is CC1CCC2CCC(C)C12.[B].
What is the InChIKey of CID 169427116?
The InChIKey is YSAAHXIVESIQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.B/c1-7-3-5-9-6-4-8(2)10(7)9;/h7-10H,3-6H2,1-2H3;.
What are the key properties of CID 169427116?
CID 169427116 has a molecular weight of 149.07 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169427116 is sourced from PubChem (CID 169427116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).