1,1-dimethyl-2,3,3a,4,5,5a-hexahydrocyclopenta[a]naphthalene

C15H20 — CID 53470693

IUPAC1,1-dimethyl-2,3,3a,4,5,5a-hexahydrocyclopenta[a]naphthalene
SMILESCC1(C)CCC2CCC3C=CC=CC3=C21
InChIInChI=1S/C15H20/c1-15(2)10-9-12-8-7-11-5-3-4-6-13(11)14(12)15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyAGLWWRHGJKSHSC-UHFFFAOYSA-N
MW200.33 g/mol
LogP4.26
Rot. Bonds

About 1,1-dimethyl-2,3,3a,4,5,5a-hexahydrocyclopenta[a]naphthalene

1,1-dimethyl-2,3,3a,4,5,5a-hexahydrocyclopenta[a]naphthalene (PubChem CID 53470693) has the molecular formula C15H20 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1,1-dimethyl-2,3,3a,4,5,5a-hexahydrocyclopenta[a]naphthalene.

Molecular Properties

Compound Name1,1-dimethyl-2,3,3a,4,5,5a-hexahydrocyclopenta[a]naphthalene
PubChem CID53470693
Molecular FormulaC15H20
Molecular Weight200.33 g/mol
Exact Mass200.16
IUPAC Name1,1-dimethyl-2,3,3a,4,5,5a-hexahydrocyclopenta[a]naphthalene
SMILESCC1(C)CCC2CCC3C=CC=CC3=C21
InChIInChI=1S/C15H20/c1-15(2)10-9-12-8-7-11-5-3-4-6-13(11)14(12)15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyAGLWWRHGJKSHSC-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-acetyl-2,2-dimethyl-3a,4,5,5a-tetrahydro-3H-cyclopenta[a]naphthalen-1-one
CID 69004949
1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine
CID 90422191
methyl 1,2,3,4,4a,5,6,6a,6b,7,8,8a-dodecahydropicene-2-carboxylate
CID 87699124
1-cyclopentyl-4-methyl-6,6a-dihydro-5H-chrysen-4-ol
CID 174646887
2,3,4,4a,5,5a-hexahydro-1H-indeno[1,2-c]pyridine
CID 67906248
(1aS,3aR)-1,1,3-trimethyl-1a,3a-dihydrocyclopropa[a]naphthalene
CID 98043433
2,3,4,6,7,7a-hexahydro-1H-benzo[a]quinolizin-2-ol
CID 68757422
[1-methyl-4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]-phenylmethanone
CID 142084746
(3aR)-1-methyl-3,3a-dihydro-2H-indol-1-ium
CID 122386248
(7aR)-2,7a-dihydro-1H-indene
CID 91327704
(6Z,8Z,11Z)-1,1-dimethyl-5,10-dihydro-2H-benzo[10]annulen-5-amine
CID 138508557
1,2,3,6,7,7a-hexahydropyrazino[2,1-a]isoquinoline-4-thione
CID 88792381

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2,3,3a,4,5,5a-hexahydrocyclopenta[a]naphthalene?
The IUPAC name of 1,1-dimethyl-2,3,3a,4,5,5a-hexahydrocyclopenta[a]naphthalene (CID 53470693) is 1,1-dimethyl-2,3,3a,4,5,5a-hexahydrocyclopenta[a]naphthalene.
What is the SMILES notation for 1,1-dimethyl-2,3,3a,4,5,5a-hexahydrocyclopenta[a]naphthalene?
The canonical SMILES for 1,1-dimethyl-2,3,3a,4,5,5a-hexahydrocyclopenta[a]naphthalene is CC1(C)CCC2CCC3C=CC=CC3=C21.
What is the InChIKey of 1,1-dimethyl-2,3,3a,4,5,5a-hexahydrocyclopenta[a]naphthalene?
The InChIKey is AGLWWRHGJKSHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-15(2)10-9-12-8-7-11-5-3-4-6-13(11)14(12)15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1,1-dimethyl-2,3,3a,4,5,5a-hexahydrocyclopenta[a]naphthalene?
1,1-dimethyl-2,3,3a,4,5,5a-hexahydrocyclopenta[a]naphthalene has a molecular weight of 200.33 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2,3,3a,4,5,5a-hexahydrocyclopenta[a]naphthalene is sourced from PubChem (CID 53470693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).