1-methylcyclohexa-1,2,3,5-tetraene;propane

C10H14 — CID 143027028

IUPAC1-methylcyclohexa-1,2,3,5-tetraene;propane
SMILESCC1=C=C=CC=C1.CCC
InChIInChI=1S/C7H6.C3H8/c1-7-5-3-2-4-6-7;1-3-2/h2-3,5H,1H3;3H2,1-2H3
InChIKeyTWNFGZSHCWPOOW-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.23
Rot. Bonds

About 1-methylcyclohexa-1,2,3,5-tetraene;propane

1-methylcyclohexa-1,2,3,5-tetraene;propane (PubChem CID 143027028) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-methylcyclohexa-1,2,3,5-tetraene;propane.

Molecular Properties

Compound Name1-methylcyclohexa-1,2,3,5-tetraene;propane
PubChem CID143027028
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-methylcyclohexa-1,2,3,5-tetraene;propane
SMILESCC1=C=C=CC=C1.CCC
InChIInChI=1S/C7H6.C3H8/c1-7-5-3-2-4-6-7;1-3-2/h2-3,5H,1H3;3H2,1-2H3
InChIKeyTWNFGZSHCWPOOW-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methylcycloocta-1,2,4,5,7-pentaene
CID 123730588
3-cyclohexa-1,2,3,5-tetraen-1-yl-1,1,1-trifluoropropan-2-one
CID 152814407
benzo[7]annulene;propane
CID 143124773
propane trihydroxide
CID 18172989
5-cyclohexa-1,2,3,5-tetraen-1-yl-6-(diethylamino)-4,4-dimethyl-6-oxo-2-propan-2-ylhexanoic acid
CID 143066673
disodium;1-cyclohexa-1,2,3,5-tetraen-1-yloxy-4-dodecylcyclohexa-1,2,3,5-tetraene;methanesulfonate
CID 161031743
2,5-dimethyl-1,3,4-oxadiazole;propane
CID 143140950
6-methylcyclohexa-1,2,3,5-tetraen-1-amine
CID 142222442
methane;propane;1,4-xylene
CID 160778309
methane;propane;1,4-xylene
CID 143560264
(5Z,7Z,9Z,11Z)-cyclododeca-1,2,3,5,7,9,11-heptaene
CID 177450332
N-ethyl-N-methylcyclohepta-1,3,4,6-tetraen-1-amine
CID 143094072

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclohexa-1,2,3,5-tetraene;propane?
The IUPAC name of 1-methylcyclohexa-1,2,3,5-tetraene;propane (CID 143027028) is 1-methylcyclohexa-1,2,3,5-tetraene;propane.
What is the SMILES notation for 1-methylcyclohexa-1,2,3,5-tetraene;propane?
The canonical SMILES for 1-methylcyclohexa-1,2,3,5-tetraene;propane is CC1=C=C=CC=C1.CCC.
What is the InChIKey of 1-methylcyclohexa-1,2,3,5-tetraene;propane?
The InChIKey is TWNFGZSHCWPOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6.C3H8/c1-7-5-3-2-4-6-7;1-3-2/h2-3,5H,1H3;3H2,1-2H3.
What are the key properties of 1-methylcyclohexa-1,2,3,5-tetraene;propane?
1-methylcyclohexa-1,2,3,5-tetraene;propane has a molecular weight of 134.22 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexa-1,2,3,5-tetraene;propane is sourced from PubChem (CID 143027028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).