methylcyclobutane;(Z)-4-methylhex-2-ene

C12H24 — CID 142208255

IUPACmethylcyclobutane;(Z)-4-methylhex-2-ene
SMILESC/C=C\C(C)CC.CC1CCC1
InChIInChI=1S/C7H14.C5H10/c1-4-6-7(3)5-2;1-5-3-2-4-5/h4,6-7H,5H2,1-3H3;5H,2-4H2,1H3/b6-4-;
InChIKeyWSEXBLQRGQYFHM-YHSAGPEESA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds2

About methylcyclobutane;(Z)-4-methylhex-2-ene

methylcyclobutane;(Z)-4-methylhex-2-ene (PubChem CID 142208255) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is methylcyclobutane;(Z)-4-methylhex-2-ene.

Molecular Properties

Compound Namemethylcyclobutane;(Z)-4-methylhex-2-ene
PubChem CID142208255
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Namemethylcyclobutane;(Z)-4-methylhex-2-ene
SMILESC/C=C\C(C)CC.CC1CCC1
InChIInChI=1S/C7H14.C5H10/c1-4-6-7(3)5-2;1-5-3-2-4-5/h4,6-7H,5H2,1-3H3;5H,2-4H2,1H3/b6-4-;
InChIKeyWSEXBLQRGQYFHM-YHSAGPEESA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylcyclobutane;(Z)-4-methylhex-2-ene?
The IUPAC name of methylcyclobutane;(Z)-4-methylhex-2-ene (CID 142208255) is methylcyclobutane;(Z)-4-methylhex-2-ene.
What is the SMILES notation for methylcyclobutane;(Z)-4-methylhex-2-ene?
The canonical SMILES for methylcyclobutane;(Z)-4-methylhex-2-ene is C/C=C\C(C)CC.CC1CCC1.
What is the InChIKey of methylcyclobutane;(Z)-4-methylhex-2-ene?
The InChIKey is WSEXBLQRGQYFHM-YHSAGPEESA-N. The full InChI is InChI=1S/C7H14.C5H10/c1-4-6-7(3)5-2;1-5-3-2-4-5/h4,6-7H,5H2,1-3H3;5H,2-4H2,1H3/b6-4-;.
What are the key properties of methylcyclobutane;(Z)-4-methylhex-2-ene?
methylcyclobutane;(Z)-4-methylhex-2-ene has a molecular weight of 168.32 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclobutane;(Z)-4-methylhex-2-ene is sourced from PubChem (CID 142208255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).