bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol

C26H30Cl2O6 — CID 161269898

About bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol

bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol (PubChem CID 161269898) has the molecular formula C26H30Cl2O6 and a molecular weight of 509.43 g/mol. Its IUPAC name is bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol.

Molecular Properties

• Compound Name: bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol
• PubChem CID: 161269898
• Molecular Formula: C26H30Cl2O6
• Molecular Weight: 509.43 g/mol
• Exact Mass: 508.14
• IUPAC Name: bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol
• SMILES: C[C@@]1(CO)CCCc2cc(Cl)ccc21.C[C@]1(CO)CCCc2cc(Cl)ccc21.O=C=O.O=C=O
• InChI: InChI=1S/2C12H15ClO.2CO2/c2*1-12(8-14)6-2-3-9-7-10(13)4-5-11(9)12;2*2-1-3/h2*4-5,7,14H,2-3,6,8H2,1H3;;/t2*12-;;/m10../s1
• InChIKey: VDRBTJWZGHPOCA-VUIMEFRESA-N
• XLogP: 4.69
• TPSA: 108.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.43
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol?

The IUPAC name of bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol (CID 161269898) is bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol.

What is the SMILES notation for bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol?

The canonical SMILES for bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol is C[C@@]1(CO)CCCc2cc(Cl)ccc21.C[C@]1(CO)CCCc2cc(Cl)ccc21.O=C=O.O=C=O.

What is the InChIKey of bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol?

The InChIKey is VDRBTJWZGHPOCA-VUIMEFRESA-N. The full InChI is InChI=1S/2C12H15ClO.2CO2/c2*1-12(8-14)6-2-3-9-7-10(13)4-5-11(9)12;2*2-1-3/h2*4-5,7,14H,2-3,6,8H2,1H3;;/t2*12-;;/m10../s1.

What are the key properties of bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol?

bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol has a molecular weight of 509.43 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol is sourced from PubChem (CID 161269898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).