3-(2,3-dihydro-1H-inden-1-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene;methane

C24H30 — CID 159601415

IUPAC3-(2,3-dihydro-1H-inden-1-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene;methane
SMILESC.c1ccc2c(c1)CCC2CC1CCc2cc3c(cc21)CCCC3
InChIInChI=1S/C23H26.CH4/c1-2-7-18-15-23-20(13-17(18)6-1)11-12-21(23)14-19-10-9-16-5-3-4-8-22(16)19;/h3-5,8,13,15,19,21H,1-2,6-7,9-12,14H2;1H4
InChIKeyMLNKDKHFQLKGCV-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.35
Rot. Bonds2

About 3-(2,3-dihydro-1H-inden-1-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene;methane

3-(2,3-dihydro-1H-inden-1-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene;methane (PubChem CID 159601415) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-1-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene;methane.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-1-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene;methane
PubChem CID159601415
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name3-(2,3-dihydro-1H-inden-1-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene;methane
SMILESC.c1ccc2c(c1)CCC2CC1CCc2cc3c(cc21)CCCC3
InChIInChI=1S/C23H26.CH4/c1-2-7-18-15-23-20(13-17(18)6-1)11-12-21(23)14-19-10-9-16-5-3-4-8-22(16)19;/h3-5,8,13,15,19,21H,1-2,6-7,9-12,14H2;1H4
InChIKeyMLNKDKHFQLKGCV-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene
CID 58581351
1-ethyl-2,3-dihydro-1H-indene
CID 20971
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene
CID 147654820
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
(1S)-1-benzyl-2,3-dihydro-1H-indene
CID 134957742
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine
CID 81010954
1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63772319
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-1-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene;methane?
The IUPAC name of 3-(2,3-dihydro-1H-inden-1-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene;methane (CID 159601415) is 3-(2,3-dihydro-1H-inden-1-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene;methane.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-1-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene;methane?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-1-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene;methane is C.c1ccc2c(c1)CCC2CC1CCc2cc3c(cc21)CCCC3.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-1-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene;methane?
The InChIKey is MLNKDKHFQLKGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26.CH4/c1-2-7-18-15-23-20(13-17(18)6-1)11-12-21(23)14-19-10-9-16-5-3-4-8-22(16)19;/h3-5,8,13,15,19,21H,1-2,6-7,9-12,14H2;1H4.
What are the key properties of 3-(2,3-dihydro-1H-inden-1-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene;methane?
3-(2,3-dihydro-1H-inden-1-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene;methane has a molecular weight of 318.50 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-1-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene;methane is sourced from PubChem (CID 159601415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).