methane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane

C44H82 — CID 160680109

IUPACmethane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane
SMILESC.CC1CC2(CCC2)C1.CC1CC2CCCC2C1.CC1CCC1.CC1CCCC2(CCC2)C1.CC1CCCC2CCCC2C1
InChIInChI=1S/C11H20.C10H18.C9H16.C8H14.C5H10.CH4/c1-9-4-2-5-10-6-3-7-11(10)8-9;1-9-4-2-5-10(8-9)6-3-7-10;1-7-5-8-3-2-4-9(8)6-7;1-7-5-8(6-7)3-2-4-8;1-5-3-2-4-5;/h9-11H,2-8H2,1H3;9H,2-8H2,1H3;7-9H,2-6H2,1H3;7H,2-6H2,1H3;5H,2-4H2,1H3;1H4
InChIKeyROAKVJBKCSIHHG-UHFFFAOYSA-N
MW611.14 g/mol
LogP14.84
Rot. Bonds

About methane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane

methane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane (PubChem CID 160680109) has the molecular formula C44H82 and a molecular weight of 611.14 g/mol. Its IUPAC name is methane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane.

Molecular Properties

Compound Namemethane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane
PubChem CID160680109
Molecular FormulaC44H82
Molecular Weight611.14 g/mol
Exact Mass610.64
IUPAC Namemethane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane
SMILESC.CC1CC2(CCC2)C1.CC1CC2CCCC2C1.CC1CCC1.CC1CCCC2(CCC2)C1.CC1CCCC2CCCC2C1
InChIInChI=1S/C11H20.C10H18.C9H16.C8H14.C5H10.CH4/c1-9-4-2-5-10-6-3-7-11(10)8-9;1-9-4-2-5-10(8-9)6-3-7-10;1-7-5-8-3-2-4-9(8)6-7;1-7-5-8(6-7)3-2-4-8;1-5-3-2-4-5;/h9-11H,2-8H2,1H3;9H,2-8H2,1H3;7-9H,2-6H2,1H3;7H,2-6H2,1H3;5H,2-4H2,1H3;1H4
InChIKeyROAKVJBKCSIHHG-UHFFFAOYSA-N
XLogP14.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.14
LogP ≤ 514.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze methane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane?
The IUPAC name of methane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane (CID 160680109) is methane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane.
What is the SMILES notation for methane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane?
The canonical SMILES for methane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane is C.CC1CC2(CCC2)C1.CC1CC2CCCC2C1.CC1CCC1.CC1CCCC2(CCC2)C1.CC1CCCC2CCCC2C1.
What is the InChIKey of methane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane?
The InChIKey is ROAKVJBKCSIHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C10H18.C9H16.C8H14.C5H10.CH4/c1-9-4-2-5-10-6-3-7-11(10)8-9;1-9-4-2-5-10(8-9)6-3-7-10;1-7-5-8-3-2-4-9(8)6-7;1-7-5-8(6-7)3-2-4-8;1-5-3-2-4-5;/h9-11H,2-8H2,1H3;9H,2-8H2,1H3;7-9H,2-6H2,1H3;7H,2-6H2,1H3;5H,2-4H2,1H3;1H4.
What are the key properties of methane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane?
methane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane has a molecular weight of 611.14 g/mol, XLogP of 14.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane is sourced from PubChem (CID 160680109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).