1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;methane;1,2,3,4-tetrahydronaphthalene

C81H150 — CID 157155824

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;methane;1,2,3,4-tetrahydronaphthalene

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;methane;1,2,3,4-tetrahydronaphthalene (PubChem CID 157155824) has the molecular formula C81H150 and a molecular weight of 1124.09 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;methane;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;methane;1,2,3,4-tetrahydronaphthalene
• PubChem CID: 157155824
• Molecular Formula: C81H150
• Molecular Weight: 1124.09 g/mol
• Exact Mass: 1123.17
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;methane;1,2,3,4-tetrahydronaphthalene
• SMILES: C.C.C.C.C.C1=CCC=CC1.C1=CCCC1.C1=CCCC=C1.C1=CCCCC1.C1CC1.C1CCC1.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C10H18.C10H12.C8H16.C7H14.C6H12.C6H10.2C6H8.C5H10.C5H8.C4H8.C3H6.5CH4/c2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-8-7-5-3-1;1-2-4-6-7-5-3-1;4*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-4-3-1;1-2-3-1;;;;;/h9-10H,1-8H2;1-2,5-6H,3-4,7-8H2;1-8H2;1-7H2;1-6H2;1-2H,3-6H2;1-2,5-6H,3-4H2;1-4H,5-6H2;1-5H2;1-2H,3-5H2;1-4H2;1-3H2;5*1H4
• InChIKey: ALUGEQDORBOXDS-UHFFFAOYSA-N
• XLogP: 29.61
• TPSA: 0.00 Ų
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1124.09
LogP ≤ 5	29.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;methane;1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;methane;1,2,3,4-tetrahydronaphthalene (CID 157155824) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;methane;1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;methane;1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;methane;1,2,3,4-tetrahydronaphthalene is C.C.C.C.C.C1=CCC=CC1.C1=CCCC1.C1=CCCC=C1.C1=CCCCC1.C1CC1.C1CCC1.C1CCC2CCCCC2C1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCCCCCC1.c1ccc2c(c1)CCCC2.

What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;methane;1,2,3,4-tetrahydronaphthalene?

The InChIKey is ALUGEQDORBOXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C10H12.C8H16.C7H14.C6H12.C6H10.2C6H8.C5H10.C5H8.C4H8.C3H6.5CH4/c2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-8-7-5-3-1;1-2-4-6-7-5-3-1;4*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-4-3-1;1-2-3-1;;;;;/h9-10H,1-8H2;1-2,5-6H,3-4,7-8H2;1-8H2;1-7H2;1-6H2;1-2H,3-6H2;1-2,5-6H,3-4H2;1-4H,5-6H2;1-5H2;1-2H,3-5H2;1-4H2;1-3H2;5*1H4.

What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;methane;1,2,3,4-tetrahydronaphthalene?

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;methane;1,2,3,4-tetrahydronaphthalene has a molecular weight of 1124.09 g/mol, XLogP of 29.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclobutane;cycloheptane;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclohexene;cyclooctane;cyclopentane;cyclopentene;cyclopropane;methane;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 157155824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).