1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane

C14H20 — CID 91488349

IUPAC1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane
SMILESCC.c1ccc2c(c1)CC1CCCC21
InChIInChI=1S/C12H14.C2H6/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11;1-2/h1-2,4,6,10,12H,3,5,7-8H2;1-2H3
InChIKeyAPJCTWXOKZVKJV-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.15
Rot. Bonds

About 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane

1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane (PubChem CID 91488349) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane.

Molecular Properties

Compound Name1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane
PubChem CID91488349
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane
SMILESCC.c1ccc2c(c1)CC1CCCC21
InChIInChI=1S/C12H14.C2H6/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11;1-2/h1-2,4,6,10,12H,3,5,7-8H2;1-2H3
InChIKeyAPJCTWXOKZVKJV-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 519137
(1S)-1-cyclopentyl-2,3-dihydro-1H-indene
CID 134946753
3-propan-2-yl-2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 165374450
(1R,9S,17R)-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6-triene perchlorate
CID 139057110
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride
CID 67612457
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide
CID 70066114
1-cyclopentyl-1,2,3,4-tetrahydronaphthalene;pentane
CID 158506578
(2R,4S)-4-cyclohexyl-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729234
7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 68524779
2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-ylmethanol
CID 70621854
(4aR,9aR)-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridin-1-ium;hydrochloride
CID 86625805
(4bS,8aR)-5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-ol
CID 129388444

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane?
The IUPAC name of 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane (CID 91488349) is 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane.
What is the SMILES notation for 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane?
The canonical SMILES for 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane is CC.c1ccc2c(c1)CC1CCCC21.
What is the InChIKey of 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane?
The InChIKey is APJCTWXOKZVKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C2H6/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11;1-2/h1-2,4,6,10,12H,3,5,7-8H2;1-2H3.
What are the key properties of 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane?
1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane has a molecular weight of 188.31 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;ethane is sourced from PubChem (CID 91488349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).