1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene

C20H24 — CID 139071014

IUPAC1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene
SMILESCC(C)(C)[C@H]1CC=C(c2cccc3ccccc23)CC1
InChIInChI=1S/C20H24/c1-20(2,3)17-13-11-16(12-14-17)19-10-6-8-15-7-4-5-9-18(15)19/h4-11,17H,12-14H2,1-3H3/t17-/m0/s1
InChIKeyVWLCIWWGIASECI-KRWDZBQOSA-N
MW264.41 g/mol
LogP6.07
Rot. Bonds1

About 1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene

1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene (PubChem CID 139071014) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene.

Molecular Properties

Compound Name1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene
PubChem CID139071014
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene
SMILESCC(C)(C)[C@H]1CC=C(c2cccc3ccccc23)CC1
InChIInChI=1S/C20H24/c1-20(2,3)17-13-11-16(12-14-17)19-10-6-8-15-7-4-5-9-18(15)19/h4-11,17H,12-14H2,1-3H3/t17-/m0/s1
InChIKeyVWLCIWWGIASECI-KRWDZBQOSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(4R)-4-tert-butylcyclohexen-1-yl]-3-chloronaphthalene-1,4-diol
CID 123742457
1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine;hydrochloride
CID 69294772
1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene
CID 90705107
1-butyl-4-[1-(4-tert-butylcyclohexen-1-yl)naphthalen-2-yl]piperazine
CID 58767695
1-[2-(4-tert-butylcyclohexen-1-yl)phenyl]-4-(oxan-4-ylmethyl)piperazine
CID 23141899
3-[2,6-bis(4-tert-butylcyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine;3-[2,6-bis(4-tert-butylcyclohexyl)phenyl]imidazo[1,2-f]phenanthridine
CID 159636622
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
4-naphthalen-1-ylcyclohex-3-en-1-one
CID 79020378
3-tert-butyl-1,2,3,4-tetrahydrophenanthrene
CID 169291663
4-tert-butyl-1-methylcyclohexene;ethane
CID 143859971
CID 175282704
CID 175282704

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene?
The IUPAC name of 1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene (CID 139071014) is 1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene.
What is the SMILES notation for 1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene?
The canonical SMILES for 1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene is CC(C)(C)[C@H]1CC=C(c2cccc3ccccc23)CC1.
What is the InChIKey of 1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene?
The InChIKey is VWLCIWWGIASECI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24/c1-20(2,3)17-13-11-16(12-14-17)19-10-6-8-15-7-4-5-9-18(15)19/h4-11,17H,12-14H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene?
1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene has a molecular weight of 264.41 g/mol, XLogP of 6.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-tert-butylcyclohexen-1-yl]naphthalene is sourced from PubChem (CID 139071014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).