4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene

C14H22 — CID 176715947

IUPAC4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
SMILESCC(C)C1(C)CCCC2=C1C=CCC2
InChIInChI=1S/C14H22/c1-11(2)14(3)10-6-8-12-7-4-5-9-13(12)14/h5,9,11H,4,6-8,10H2,1-3H3
InChIKeyPKJFNTRDGKYLJU-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds1

About 4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene

4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene (PubChem CID 176715947) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene.

Molecular Properties

Compound Name4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
PubChem CID176715947
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
SMILESCC(C)C1(C)CCCC2=C1C=CCC2
InChIInChI=1S/C14H22/c1-11(2)14(3)10-6-8-12-7-4-5-9-13(12)14/h5,9,11H,4,6-8,10H2,1-3H3
InChIKeyPKJFNTRDGKYLJU-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene?
The IUPAC name of 4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene (CID 176715947) is 4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene.
What is the SMILES notation for 4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene?
The canonical SMILES for 4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene is CC(C)C1(C)CCCC2=C1C=CCC2.
What is the InChIKey of 4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene?
The InChIKey is PKJFNTRDGKYLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-11(2)14(3)10-6-8-12-7-4-5-9-13(12)14/h5,9,11H,4,6-8,10H2,1-3H3.
What are the key properties of 4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene?
4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene has a molecular weight of 190.33 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene is sourced from PubChem (CID 176715947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).