2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C14H26 — CID 58695351

IUPAC2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC1CCC2CCC(CC)CC2C1
InChIInChI=1S/C14H26/c1-3-11-5-7-13-8-6-12(4-2)10-14(13)9-11/h11-14H,3-10H2,1-2H3
InChIKeyPDBCSGUSJVKYAB-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.64
Rot. Bonds2

About 2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 58695351) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID58695351
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC1CCC2CCC(CC)CC2C1
InChIInChI=1S/C14H26/c1-3-11-5-7-13-8-6-12(4-2)10-14(13)9-11/h11-14H,3-10H2,1-2H3
InChIKeyPDBCSGUSJVKYAB-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,3S)-3-ethylbicyclo[4.1.0]heptane
CID 143706776
1-cyclopropyl-3-ethylcyclobutane
CID 123813009
(3-ethylcyclopentyl)cyclohexane
CID 142208206
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1,3-diethylcyclopentane
CID 530396
(1S,5R)-3-ethylbicyclo[3.1.0]hexane
CID 154521866
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane
CID 148989038
3-[3-(3-ethylcyclopentyl)cyclopentyl]propan-1-ol
CID 142767370
(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonitrile
CID 54020010
7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
CID 58552621

Frequently Asked Questions

What is the IUPAC name of 2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 58695351) is 2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCC1CCC2CCC(CC)CC2C1.
What is the InChIKey of 2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is PDBCSGUSJVKYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-3-11-5-7-13-8-6-12(4-2)10-14(13)9-11/h11-14H,3-10H2,1-2H3.
What are the key properties of 2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 194.36 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 58695351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).