(6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene

C10H18 — CID 147576937

IUPAC(6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESCC1CCC2CC[C@@H](C)C12
InChIInChI=1S/C10H18/c1-7-3-5-9-6-4-8(2)10(7)9/h7-10H,3-6H2,1-2H3/t7-,8?,9?,10?/m1/s1
InChIKeyFVQUHAPMFLWJHN-QVNBGCGHSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds

About (6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene

(6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene (PubChem CID 147576937) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene.

Molecular Properties

Compound Name(6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
PubChem CID147576937
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESCC1CCC2CC[C@@H](C)C12
InChIInChI=1S/C10H18/c1-7-3-5-9-6-4-8(2)10(7)9/h7-10H,3-6H2,1-2H3/t7-,8?,9?,10?/m1/s1
InChIKeyFVQUHAPMFLWJHN-QVNBGCGHSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclopropyl-1,3-dimethylcyclopentane
CID 154518239
CID 169427116
CID 169427116
ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90824446
(2,4-dimethylcyclobutyl)cyclopentane
CID 76591276
tetracyclo[6.2.2.23,6.02,7]tetradecane
CID 14196498
ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene)
CID 157279018
7-methyltricyclo[4.3.1.03,10]decane
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(1S,2S)-2-methylbicyclo[3.1.0]hexane
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4,7-dimethyltricyclo[6.2.0.03,10]decane-2,9-diamine
CID 135258769
(5S)-2-methylbicyclo[3.2.1]octane
CID 154516111
(1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane
CID 143721381
(1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane
CID 134386503

Frequently Asked Questions

What is the IUPAC name of (6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The IUPAC name of (6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene (CID 147576937) is (6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene.
What is the SMILES notation for (6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The canonical SMILES for (6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene is CC1CCC2CC[C@@H](C)C12.
What is the InChIKey of (6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
The InChIKey is FVQUHAPMFLWJHN-QVNBGCGHSA-N. The full InChI is InChI=1S/C10H18/c1-7-3-5-9-6-4-8(2)10(7)9/h7-10H,3-6H2,1-2H3/t7-,8?,9?,10?/m1/s1.
What are the key properties of (6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene?
(6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene has a molecular weight of 138.25 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene is sourced from PubChem (CID 147576937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).