CID 162402978

C6H11 — CID 162402978

IUPAC—
SMILESC/[C]=C(\C)CC
InChIInChI=1S/C6H11/c1-4-6(3)5-2/h4H2,1-3H3
InChIKeySPGHHXIOFFBYOE-UHFFFAOYSA-N
MW83.15 g/mol
LogP2.17
Rot. Bonds1

About CID 162402978

CID 162402978 (PubChem CID 162402978) has the molecular formula C6H11 and a molecular weight of 83.15 g/mol.

Molecular Properties

Compound NameCID 162402978
PubChem CID162402978
Molecular FormulaC6H11
Molecular Weight83.15 g/mol
Exact Mass83.09
IUPAC Name—
SMILESC/[C]=C(\C)CC
InChIInChI=1S/C6H11/c1-4-6(3)5-2/h4H2,1-3H3
InChIKeySPGHHXIOFFBYOE-UHFFFAOYSA-N
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.15
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Pentene, 3-methyl-, (2Z)-
CID 643935
2-Methyl-2-pentene
CID 12243
3-Methyl-2-pentene
CID 12014
2,3-Dimethyl-2-pentene
CID 25403
(E)-3-methylpent-2-ene
CID 642661
3-Methyl-3-hexene, (E)-
CID 5352447
3-Methyl-3-hexene, (Z)-
CID 5357250
(E)-3,4-Dimethylhex-3-ene
CID 3034312
3,4-Diethyl-3-hexene
CID 136668
Cyclopropane, (1-methylethylidene)-
CID 138338
3-Ethyl-2-methyl-2-pentene
CID 140592
Cyclobutane, (1-methylethylidene)-
CID 519100

Frequently Asked Questions

What is the IUPAC name of CID 162402978?
The IUPAC name of CID 162402978 (CID 162402978) is not available.
What is the SMILES notation for CID 162402978?
The canonical SMILES for CID 162402978 is C/[C]=C(\C)CC.
What is the InChIKey of CID 162402978?
The InChIKey is SPGHHXIOFFBYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11/c1-4-6(3)5-2/h4H2,1-3H3.
What are the key properties of CID 162402978?
CID 162402978 has a molecular weight of 83.15 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162402978 is sourced from PubChem (CID 162402978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).