(4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]

C18H28O — CID 7001562

IUPAC(4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]
SMILESC1=C2[C@H]3CCCC[C@H]3OC3(CCCCC3)[C@@H]2CCC1
InChIInChI=1S/C18H28O/c1-6-12-18(13-7-1)16-10-4-2-8-14(16)15-9-3-5-11-17(15)19-18/h8,15-17H,1-7,9-13H2/t15-,16-,17-/m1/s1
InChIKeyIMFLUMXQDKOHDN-BRWVUGGUSA-N
MW260.42 g/mol
LogP5.00
Rot. Bonds

About (4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]

(4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane] (PubChem CID 7001562) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is (4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane].

Molecular Properties

Compound Name(4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]
PubChem CID7001562
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name(4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]
SMILESC1=C2[C@H]3CCCC[C@H]3OC3(CCCCC3)[C@@H]2CCC1
InChIInChI=1S/C18H28O/c1-6-12-18(13-7-1)16-10-4-2-8-14(16)15-9-3-5-11-17(15)19-18/h8,15-17H,1-7,9-13H2/t15-,16-,17-/m1/s1
InChIKeyIMFLUMXQDKOHDN-BRWVUGGUSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]?
The IUPAC name of (4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane] (CID 7001562) is (4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane].
What is the SMILES notation for (4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]?
The canonical SMILES for (4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane] is C1=C2[C@H]3CCCC[C@H]3OC3(CCCCC3)[C@@H]2CCC1.
What is the InChIKey of (4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]?
The InChIKey is IMFLUMXQDKOHDN-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H28O/c1-6-12-18(13-7-1)16-10-4-2-8-14(16)15-9-3-5-11-17(15)19-18/h8,15-17H,1-7,9-13H2/t15-,16-,17-/m1/s1.
What are the key properties of (4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]?
(4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane] has a molecular weight of 260.42 g/mol, XLogP of 5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6aR,10bR)-spiro[1,2,3,4,4a,6a,7,8,9,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane] is sourced from PubChem (CID 7001562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).