6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate

C20H30O2 — CID 156799701

IUPAC6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate
SMILESCC.Cc1c2c(cc3ccc(C4CC4)cc13)C(C)CC2.O.O
InChIInChI=1S/C18H20.C2H6.2H2O/c1-11-3-8-16-12(2)18-9-14(13-4-5-13)6-7-15(18)10-17(11)16;1-2;;/h6-7,9-11,13H,3-5,8H2,1-2H3;1-2H3;2*1H2
InChIKeyMHEMWKBGACBKLA-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.45
Rot. Bonds1

About 6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate

6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate (PubChem CID 156799701) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate.

Molecular Properties

Compound Name6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate
PubChem CID156799701
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate
SMILESCC.Cc1c2c(cc3ccc(C4CC4)cc13)C(C)CC2.O.O
InChIInChI=1S/C18H20.C2H6.2H2O/c1-11-3-8-16-12(2)18-9-14(13-4-5-13)6-7-15(18)10-17(11)16;1-2;;/h6-7,9-11,13H,3-5,8H2,1-2H3;1-2H3;2*1H2
InChIKeyMHEMWKBGACBKLA-UHFFFAOYSA-N
XLogP4.45
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate?
The IUPAC name of 6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate (CID 156799701) is 6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate.
What is the SMILES notation for 6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate?
The canonical SMILES for 6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate is CC.Cc1c2c(cc3ccc(C4CC4)cc13)C(C)CC2.O.O.
What is the InChIKey of 6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate?
The InChIKey is MHEMWKBGACBKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20.C2H6.2H2O/c1-11-3-8-16-12(2)18-9-14(13-4-5-13)6-7-15(18)10-17(11)16;1-2;;/h6-7,9-11,13H,3-5,8H2,1-2H3;1-2H3;2*1H2.
What are the key properties of 6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate?
6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate has a molecular weight of 302.46 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]naphthalene;ethane;dihydrate is sourced from PubChem (CID 156799701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).