CID 175109121

C10H20B — CID 175109121

IUPAC—
SMILESC=CCCC.C=CCCC.[B]
InChIInChI=1S/2C5H10.B/c2*1-3-5-4-2;/h2*3H,1,4-5H2,2H3;
InChIKeyJKTLGVVDRKSHOB-UHFFFAOYSA-N
MW151.08 g/mol
LogP3.56
Rot. Bonds4

About CID 175109121

CID 175109121 (PubChem CID 175109121) has the molecular formula C10H20B and a molecular weight of 151.08 g/mol.

Molecular Properties

Compound NameCID 175109121
PubChem CID175109121
Molecular FormulaC10H20B
Molecular Weight151.08 g/mol
Exact Mass151.17
IUPAC Name—
SMILESC=CCCC.C=CCCC.[B]
InChIInChI=1S/2C5H10.B/c2*1-3-5-4-2;/h2*3H,1,4-5H2,2H3;
InChIKeyJKTLGVVDRKSHOB-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.08
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(111C)pent-1-ene
CID 177423582
butane;ethene;pent-1-ene
CID 177174553
ethane;pent-1-ene;propane
CID 162735255
but-1-ene;ethene;pent-1-ene
CID 140771113
decane;pent-1-ene
CID 159058331
ethane;ethene;pent-1-ene;prop-1-ene
CID 142056611
ethane;ethene;2-methylprop-1-ene;pent-1-ene
CID 172567576
pent-1-ene nitrite
CID 18006221
isocyanic acid;bis(pent-1-ene)
CID 173231013
pent-1-ene nitrate
CID 18787917
hex-1-ene;oct-1-ene;pent-1-ene
CID 174703469
bis(pent-1-ene);pent-2-ene
CID 158608078

Frequently Asked Questions

What is the IUPAC name of CID 175109121?
The IUPAC name of CID 175109121 (CID 175109121) is not available.
What is the SMILES notation for CID 175109121?
The canonical SMILES for CID 175109121 is C=CCCC.C=CCCC.[B].
What is the InChIKey of CID 175109121?
The InChIKey is JKTLGVVDRKSHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10.B/c2*1-3-5-4-2;/h2*3H,1,4-5H2,2H3;.
What are the key properties of CID 175109121?
CID 175109121 has a molecular weight of 151.08 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175109121 is sourced from PubChem (CID 175109121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).