ethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane]

C18H32 — CID 153348404

IUPACethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane]
SMILESC1=CC2CCCC3(CCCC3)C2C=C1.CC.CC
InChIInChI=1S/C14H20.2C2H6/c1-2-8-13-12(6-1)7-5-11-14(13)9-3-4-10-14;2*1-2/h1-2,6,8,12-13H,3-5,7,9-11H2;2*1-2H3
InChIKeySKMHZLFLVIKOPK-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.14
Rot. Bonds

About ethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane]

ethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane] (PubChem CID 153348404) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is ethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane].

Molecular Properties

Compound Nameethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane]
PubChem CID153348404
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Nameethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane]
SMILESC1=CC2CCCC3(CCCC3)C2C=C1.CC.CC
InChIInChI=1S/C14H20.2C2H6/c1-2-8-13-12(6-1)7-5-11-14(13)9-3-4-10-14;2*1-2/h1-2,6,8,12-13H,3-5,7,9-11H2;2*1-2H3
InChIKeySKMHZLFLVIKOPK-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3,3a,7a-tetrahydro-1H-indene
CID 12652500
1,2,3,4,4a,8a-hexahydronaphthalene;methanamine
CID 143180898
(4S)-4-methylspiro[4.4]nonane
CID 148967518
(9S,10R)-9-methylspiro[4.5]decan-10-amine
CID 42611664
5-(1-ethylcyclopentyl)-6-fluorocyclohexa-1,3-diene
CID 129054109
4-tert-butylspiro[4.4]nonane
CID 140778111
2,3,3a,7a-tetrahydro-1H-indene;dichlorotitanium;(tritert-butyl-λ5-phosphanylidene)azanide
CID 23232464
ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane
CID 165136172
[(1R,3aR,7aR)-1-methyl-1,2,3,7a-tetrahydroinden-3a-yl]methanol
CID 101093039
N-cyclopropylspiro[4.4]nonan-4-amine
CID 83906412
tert-butyl spiro[4.5]decane-4-carboxylate
CID 66658048
2,3,3a,7a-tetrahydro-1H-indene;tris(2,2-dimethylpropanoic acid);zirconium
CID 23231710

Frequently Asked Questions

What is the IUPAC name of ethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane]?
The IUPAC name of ethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane] (CID 153348404) is ethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane].
What is the SMILES notation for ethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane]?
The canonical SMILES for ethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane] is C1=CC2CCCC3(CCCC3)C2C=C1.CC.CC.
What is the InChIKey of ethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane]?
The InChIKey is SKMHZLFLVIKOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.2C2H6/c1-2-8-13-12(6-1)7-5-11-14(13)9-3-4-10-14;2*1-2/h1-2,6,8,12-13H,3-5,7,9-11H2;2*1-2H3.
What are the key properties of ethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane]?
ethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane] has a molecular weight of 248.45 g/mol, XLogP of 6.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,1'-cyclopentane] is sourced from PubChem (CID 153348404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).