6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C23H38 — CID 163413295

IUPAC6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC1CC1C1C(C)C1C1CCC2CC(C3CC3)CCC2C1C
InChIInChI=1S/C23H38/c1-4-15-12-21(15)23-14(3)22(23)20-10-8-18-11-17(16-5-6-16)7-9-19(18)13(20)2/h13-23H,4-12H2,1-3H3
InChIKeyACGZJIBUDZYJKJ-UHFFFAOYSA-N
MW314.56 g/mol
LogP6.40
Rot. Bonds4

About 6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 163413295) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is 6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID163413295
Molecular FormulaC23H38
Molecular Weight314.56 g/mol
Exact Mass314.30
IUPAC Name6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC1CC1C1C(C)C1C1CCC2CC(C3CC3)CCC2C1C
InChIInChI=1S/C23H38/c1-4-15-12-21(15)23-14(3)22(23)20-10-8-18-11-17(16-5-6-16)7-9-19(18)13(20)2/h13-23H,4-12H2,1-3H3
InChIKeyACGZJIBUDZYJKJ-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Naphthalene, decahydro-1,4-dimethyl-5-octyl-
CID 41260
2,6-Dimethyl-3-n-octyldecahydronaphthalene
CID 281839
Naphthalene, decahydro-1-pentadecyl-
CID 296573
Naphthalene, decahydro-1-undecyl-
CID 300475
7-Butyl-1-hexyldecahydronaphthalene
CID 53438681
Naphthalene, 2-butyl-3-hexyldecahydro-
CID 271337
2-Decyldecahydronaphthalene
CID 586218
Naphthalene, 1-(1-decylundecyl)decahydro-
CID 293360
1-Octyl-decahydronaphthalene
CID 21439252
1-(Decahydro-naphthalen-2-yl)-docosane
CID 57852593
1-Dodecyl-decahydronaphthalin
CID 129634269
1-n-Octadecyldecalin
CID 129641600

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 163413295) is 6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCC1CC1C1C(C)C1C1CCC2CC(C3CC3)CCC2C1C.
What is the InChIKey of 6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is ACGZJIBUDZYJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38/c1-4-15-12-21(15)23-14(3)22(23)20-10-8-18-11-17(16-5-6-16)7-9-19(18)13(20)2/h13-23H,4-12H2,1-3H3.
What are the key properties of 6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 314.56 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[2-(2-ethylcyclopropyl)-3-methylcyclopropyl]-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 163413295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).