[(4aR)-7-methylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methanol

C12H18O — CID 10261661

IUPAC[(4aR)-7-methylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methanol
SMILESC=C1C=C2CCCC[C@@]2(CO)CC1
InChIInChI=1S/C12H18O/c1-10-5-7-12(9-13)6-3-2-4-11(12)8-10/h8,13H,1-7,9H2/t12-/m0/s1
InChIKeyNZCZVSZTYHUWNV-LBPRGKRZSA-N
MW178.27 g/mol
LogP2.82
Rot. Bonds1

About [(4aR)-7-methylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methanol

[(4aR)-7-methylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methanol (PubChem CID 10261661) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is [(4aR)-7-methylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methanol.

Molecular Properties

Compound Name[(4aR)-7-methylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methanol
PubChem CID10261661
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name[(4aR)-7-methylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methanol
SMILESC=C1C=C2CCCC[C@@]2(CO)CC1
InChIInChI=1S/C12H18O/c1-10-5-7-12(9-13)6-3-2-4-11(12)8-10/h8,13H,1-7,9H2/t12-/m0/s1
InChIKeyNZCZVSZTYHUWNV-LBPRGKRZSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(4aR)-7-methylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methanol?
The IUPAC name of [(4aR)-7-methylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methanol (CID 10261661) is [(4aR)-7-methylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methanol.
What is the SMILES notation for [(4aR)-7-methylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methanol?
The canonical SMILES for [(4aR)-7-methylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methanol is C=C1C=C2CCCC[C@@]2(CO)CC1.
What is the InChIKey of [(4aR)-7-methylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methanol?
The InChIKey is NZCZVSZTYHUWNV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18O/c1-10-5-7-12(9-13)6-3-2-4-11(12)8-10/h8,13H,1-7,9H2/t12-/m0/s1.
What are the key properties of [(4aR)-7-methylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methanol?
[(4aR)-7-methylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methanol has a molecular weight of 178.27 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR)-7-methylidene-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methanol is sourced from PubChem (CID 10261661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).