(6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene

C10H16 — CID 163824115

IUPAC(6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene
SMILESCC1=C[C@@H]2CCC(C)C2C1
InChIInChI=1S/C10H16/c1-7-5-9-4-3-8(2)10(9)6-7/h5,8-10H,3-4,6H2,1-2H3/t8?,9-,10?/m0/s1
InChIKeyNXYBFRUGIQRRCU-KYHHOPLUSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds

About (6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene

(6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene (PubChem CID 163824115) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene.

Molecular Properties

Compound Name(6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene
PubChem CID163824115
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene
SMILESCC1=C[C@@H]2CCC(C)C2C1
InChIInChI=1S/C10H16/c1-7-5-9-4-3-8(2)10(9)6-7/h5,8-10H,3-4,6H2,1-2H3/t8?,9-,10?/m0/s1
InChIKeyNXYBFRUGIQRRCU-KYHHOPLUSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 58737300
1,3,4,5-tetramethylcyclohexene
CID 12751050
1,5-dimethylcyclohexene
CID 520362
(1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane
CID 143590752
2-[(4R,4aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]-2-methyloxirane
CID 89167305
(3R,4S)-3-ethyl-1,4-dimethylcyclopentene
CID 163464724
(1R,2S,6R,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 98615069
(1S,2S,6S,7S)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 98043508
2-methyl-1,3a,4,6,7,7a-hexahydroinden-5-one
CID 86257426
4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 3437714
5-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
CID 77305376
(4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 58067904

Frequently Asked Questions

What is the IUPAC name of (6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene?
The IUPAC name of (6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene (CID 163824115) is (6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene.
What is the SMILES notation for (6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene?
The canonical SMILES for (6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene is CC1=C[C@@H]2CCC(C)C2C1.
What is the InChIKey of (6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene?
The InChIKey is NXYBFRUGIQRRCU-KYHHOPLUSA-N. The full InChI is InChI=1S/C10H16/c1-7-5-9-4-3-8(2)10(9)6-7/h5,8-10H,3-4,6H2,1-2H3/t8?,9-,10?/m0/s1.
What are the key properties of (6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene?
(6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene has a molecular weight of 136.24 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-3,5-dimethyl-1,2,3,3a,4,6a-hexahydropentalene is sourced from PubChem (CID 163824115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).