7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene

C17H24 — CID 144542700

IUPAC7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene
SMILESCC1(C)CCCC2Cc3ccccc3CC2C1
InChIInChI=1S/C17H24/c1-17(2)9-5-8-15-10-13-6-3-4-7-14(13)11-16(15)12-17/h3-4,6-7,15-16H,5,8-12H2,1-2H3
InChIKeyKKDYRXXMYTZCOO-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.62
Rot. Bonds

About 7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene

7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene (PubChem CID 144542700) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene.

Molecular Properties

Compound Name7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene
PubChem CID144542700
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene
SMILESCC1(C)CCCC2Cc3ccccc3CC2C1
InChIInChI=1S/C17H24/c1-17(2)9-5-8-15-10-13-6-3-4-7-14(13)11-16(15)12-17/h3-4,6-7,15-16H,5,8-12H2,1-2H3
InChIKeyKKDYRXXMYTZCOO-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene?
The IUPAC name of 7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene (CID 144542700) is 7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene.
What is the SMILES notation for 7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene?
The canonical SMILES for 7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene is CC1(C)CCCC2Cc3ccccc3CC2C1.
What is the InChIKey of 7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene?
The InChIKey is KKDYRXXMYTZCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-17(2)9-5-8-15-10-13-6-3-4-7-14(13)11-16(15)12-17/h3-4,6-7,15-16H,5,8-12H2,1-2H3.
What are the key properties of 7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene?
7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene has a molecular weight of 228.38 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene is sourced from PubChem (CID 144542700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).