methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene

C12H18 — CID 143402617

IUPACmethane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
SMILESC.C/C=C\C1=CC=CC=CC1C
InChIInChI=1S/C11H14.CH4/c1-3-7-11-9-6-4-5-8-10(11)2;/h3-10H,1-2H3;1H4/b7-3-;
InChIKeyOZTXBNBYYUHWHE-WYLUAFJRSA-N
MW162.28 g/mol
LogP3.89
Rot. Bonds1

About methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene

methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene (PubChem CID 143402617) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene.

Molecular Properties

Compound Namemethane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
PubChem CID143402617
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Namemethane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
SMILESC.C/C=C\C1=CC=CC=CC1C
InChIInChI=1S/C11H14.CH4/c1-3-7-11-9-6-4-5-8-10(11)2;/h3-10H,1-2H3;1H4/b7-3-;
InChIKeyOZTXBNBYYUHWHE-WYLUAFJRSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-ethylidene-6-methylcyclohexa-1,3-diene
CID 123649762
(7R)-1-[(1R)-1-methoxyethyl]-7-methylcyclohepta-1,3,5-triene
CID 59910093
5,11-dimethyl-3,5-dihydro-2H-benzo[9]annulene
CID 90758670
2-[(Z)-prop-1-enyl]bicyclo[2.2.1]hepta-2,5-diene
CID 173026536
(E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine
CID 167045938
(7-methylcyclohepta-1,3,5-trien-1-yl) 2-methylidenebutanoate
CID 139334121
dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 174388271
4-but-1-enyl-8-methyl-6-prop-1-enylbicyclo[5.1.0]octa-1,3,5-triene
CID 90958678
1,4-bis[(E)-prop-1-enyl]cyclopenta-1,3-diene
CID 59289880
1-methyl-8aH-cyclohepta[b]pyrrole
CID 90814916
cobalt;1-cyclopenta-1,3-dien-1-yl-5-methylcyclopenta-1,3-diene
CID 174568415
difluorozirconium;1,5-dimethylcyclopenta-1,3-diene
CID 174427609

Frequently Asked Questions

What is the IUPAC name of methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene?
The IUPAC name of methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene (CID 143402617) is methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene.
What is the SMILES notation for methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene?
The canonical SMILES for methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene is C.C/C=C\C1=CC=CC=CC1C.
What is the InChIKey of methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene?
The InChIKey is OZTXBNBYYUHWHE-WYLUAFJRSA-N. The full InChI is InChI=1S/C11H14.CH4/c1-3-7-11-9-6-4-5-8-10(11)2;/h3-10H,1-2H3;1H4/b7-3-;.
What are the key properties of methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene?
methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene has a molecular weight of 162.28 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;7-methyl-1-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene is sourced from PubChem (CID 143402617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).