CID 173486612

C10H17B — CID 173486612

IUPAC—
SMILES[B]C(CC(C=C)CC)=C(C)C
InChIInChI=1S/C10H17B/c1-5-9(6-2)7-10(11)8(3)4/h5,9H,1,6-7H2,2-4H3
InChIKeyXIHQQZOLBIBVTQ-UHFFFAOYSA-N
MW148.06 g/mol
LogP3.05
Rot. Bonds4

About CID 173486612

CID 173486612 (PubChem CID 173486612) has the molecular formula C10H17B and a molecular weight of 148.06 g/mol.

Molecular Properties

Compound NameCID 173486612
PubChem CID173486612
Molecular FormulaC10H17B
Molecular Weight148.06 g/mol
Exact Mass148.14
IUPAC Name—
SMILES[B]C(CC(C=C)CC)=C(C)C
InChIInChI=1S/C10H17B/c1-5-9(6-2)7-10(11)8(3)4/h5,9H,1,6-7H2,2-4H3
InChIKeyXIHQQZOLBIBVTQ-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.06
LogP ≤ 53.05
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

5-ethenyl-3-ethylocta-1,7-diene
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carbonic acid;2-ethylbut-3-en-1-ol
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3-(methoxymethyl)pent-1-ene
CID 54004268
3-ethylhept-1-ene
CID 12923943
(3R)-3-ethylpent-4-en-1-amine
CID 122576147
3,6,9-triethyl-7,8-dimethylundec-1-ene
CID 123629227
(4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol
CID 58129544
2-ethylbut-3-enyl(hydroxyimino)silane
CID 173202953
(3R)-3-ethyloct-1-ene
CID 50898077
(3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene
CID 143261301
(5E)-3-ethyl-7-methylidenenona-1,5-diene
CID 22448221
5-ethylhepta-2,6-dienoic acid
CID 91381848

Frequently Asked Questions

What is the IUPAC name of CID 173486612?
The IUPAC name of CID 173486612 (CID 173486612) is not available.
What is the SMILES notation for CID 173486612?
The canonical SMILES for CID 173486612 is [B]C(CC(C=C)CC)=C(C)C.
What is the InChIKey of CID 173486612?
The InChIKey is XIHQQZOLBIBVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17B/c1-5-9(6-2)7-10(11)8(3)4/h5,9H,1,6-7H2,2-4H3.
What are the key properties of CID 173486612?
CID 173486612 has a molecular weight of 148.06 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173486612 is sourced from PubChem (CID 173486612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).